3,4-Dimethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

HCID 736396

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Basic information

CAS: 696628-27-0
Standard SMILES: COc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cn1
InChIKey: BCSLOBNCVYFLBY-UHFFFAOYSA-N
Molecular formula: C14H16N2O5S
Average molar mass: 324.35 g/mol
Monoisotopic mass: 324.07799279

Names & identifiers

Preferred name: 3,4-Dimethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
IUPAC: 3,4-dimethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

Names & synonyms

696628-27-03,4-dimethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamideRefChem:2711243,4-dimethoxy-N-(6-methoxypyridin-3-yl)benzenesulfonamideMLS-0091989.0001[(3,4-dimethoxyphenyl)sulfonyl](6-methoxy(3-pyridyl))amine3,4-Dimethoxy-N-(6-methoxypyridin-3-yl)benzene-1-sulfonamideOprea1_795131cid_736396CHEMBL1377412BDBM45833BCSLOBNCVYFLBY-UHFFFAOYSA-N

Show more names

DTXSID601198826STK231851AKOS000645929ST058826AB00000229-013,4-dimethoxy-N-(6-methoxy-3-pyridyl)benzenesulfonamideBenzenesulfonamide, 3,4-dimethoxy-N-(6-methoxypyridin-3-yl)-

Database identifiers

CAS: 696628-27-0
PubChem CID: 736396
DTXSID: DTXSID601198826
ChEMBL: CHEMBL1377412

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 95.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 439

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