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Research chemical

Methyl[(4-{4-[(methylamino)sulfonyl]phenoxy}phenyl)sulfonyl]amine

CAS Number: 1096-17-9

Chemical structure
Methyl[(4-{4-[(methylamino)sulfonyl]phenoxy}phenyl)sulfonyl]amine molecular structure, CAS 1096-17-9

Product details

Identity & specification

Molecular formula
C14H16N2O5S2
Molecular weight
356.4 g/mol
Product type
Research-use catalog compound
Documentation
COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

1076679

Exact Mass

356.050064

InChIKey

SLJKNDUEUIIMDU-UHFFFAOYSA-N

IUPAC Name

N-methyl-4-[4-(methylsulfamoyl)phenoxy]benzenesulfonamide

SMILES String

CNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NC)cc2)cc1

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

23

H-bond acceptors

7

H-bond donors

2

Rotatable bonds

6

Ring count

2

Aromatic rings

2

Topological polar surface area

101.57 Ų

Computed LogP

1.3

Fragment-like structure rule

No

Lead-like structure rule

No

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

No

N-heterocycle motif

Yes

Boronic acid motif

No

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

Methyl[(4-{4-[(methylamino)sulfonyl]phenoxy}phenyl)sulfonyl]amine (CAS 1096-17-9) is maintained as a cataloged research chemical with formula C14H16N2O5S2, molecular weight 356. 40 g/mol, PubChem CID 1076679.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.

Documentation needs

SDS signal word: Warning; hazard codes: H302, H315, H319, H335; for research use only.

Applications & Classification

Supplier Catalog SourcingCommercial Research ChemicalsHeterocyclic Building BlocksResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Tyrosyl-DNA phosphodiesterase 1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Catalog navigation

Related Catalog Entries

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Structure similarityN-(2-((N,N-dimethylsulfamoyl)amino)ethyl)-4-isobutyramidobenzamideView related compound →Structure similarity1-((5-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)methyl)pyrimidine-2,4(1H,3H)-dioneView related compound →Structure similarity1-(3,4,5-Trimethoxybenzoyl)indoline-2-carboxamideView related compound →Structure similarity(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)-N-naphthalen-2-ylpentanamideView related compound →Structure similarity3-(2-Methylphenyl)-5-[(2,4,5-trimethylbenzenesulfonyl)methyl]-1,2,4-oxadiazoleView related compound →

Procurement questions

What are the key identifiers for Methyl[(4-{4-[(methylamino)sulfonyl]phenoxy}phenyl)sulfonyl]amine (CAS 1096-17-9)?

Methyl[(4-{4-[(methylamino)sulfonyl]phenoxy}phenyl)sulfonyl]amine is identified by CAS 1096-17-9, with molecular formula C14H16N2O5S2, molecular weight 356.4, InChIKey SLJKNDUEUIIMDU-UHFFFAOYSA-N.

Does CAS 1096-17-9 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Tyrosyl-DNA phosphodiesterase 1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 1096-17-9?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Methyl[(4-{4-[(methylamino)sulfonyl]phenoxy}phenyl)sulfonyl]amine?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 1096-17-9 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.