Research chemical
CAS Number: 1036712-62-5
![Benzenesulfonamide, N-[(3-bromo-4-fluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methyl- molecular structure, CAS 1036712-62-5](/structure-images/1036712-62-5.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
59226267
Exact Mass
445.03587
InChIKey
YMWAWNGTJDKAQE-UHFFFAOYSA-N
IUPAC Name
N-[(3-bromo-4-fluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide
SMILES String
COC(CN(Cc1ccc(F)c(Br)c1)S(=O)(=O)c1ccc(C)cc1)OC
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, N-[(3-bromo-4-fluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methyl- is identified by CAS 1036712-62-5, with molecular formula C18H21BrFNO4S, molecular weight 446.3, InChIKey YMWAWNGTJDKAQE-UHFFFAOYSA-N.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
26
H-bond acceptors
5
H-bond donors
0
Rotatable bonds
8
Ring count
2
Aromatic rings
2
Topological polar surface area
55.84 Ų
Computed LogP
3.71
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, N-[(3-bromo-4-fluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methyl- (CAS 1036712-62-5) is maintained as a cataloged research chemical with formula C18H21BrFNO4S, molecular weight 446. 30 g/mol, PubChem CID 59226267.
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.
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