Research chemical
CAS Number: 112252-40-1
![Benzenesulfonamide, 4-chloro-N-[2-phenyl-2-(phenylamino)ethyl]- molecular structure, CAS 112252-40-1](/structure-images/112252-40-1.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
602841
Exact Mass
386.085577
InChIKey
ZLTYBEKAYYHILM-UHFFFAOYSA-N
IUPAC Name
N-(2-anilino-2-phenylethyl)-4-chlorobenzenesulfonamide
SMILES String
O=S(=O)(NCC(Nc1ccccc1)c1ccccc1)c1ccc(Cl)cc1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Benzenesulfonamide, 4-chloro-N-[2-phenyl-2-(phenylamino)ethyl]- is identified by CAS 112252-40-1, with molecular formula C20H19ClN2O2S, molecular weight 386.9, InChIKey ZLTYBEKAYYHILM-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Geminin, Mothers against decapentaplegic homolog 3, Tyrosyl-DNA phosphodiesterase 1. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Heavy atom count
26
H-bond acceptors
4
H-bond donors
2
Rotatable bonds
7
Ring count
3
Aromatic rings
3
Topological polar surface area
58.2 Ų
Computed LogP
4.47
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.
Structural features
Benzenesulfonamide, 4-chloro-N-[2-phenyl-2-(phenylamino)ethyl]- (CAS 112252-40-1) is maintained as a commercial cas reference with formula C20H19ClN2O2S, molecular weight 386. 90 g/mol, PubChem CID 602841.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
ChEMBL reports experimental activity evidence for: Geminin (Homo sapiens) — 2 assays; Mothers against decapentaplegic homolog 3 (Homo sapiens) — 2 assays; Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Geminin
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Mothers against decapentaplegic homolog 3
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Tyrosyl-DNA phosphodiesterase 1
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.