3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide

C19H18N2O4S — CID 110406353

IUPAC3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)nc2)cc1OC
InChIInChI=1S/C19H18N2O4S/c1-24-18-11-9-16(12-19(18)25-2)26(22,23)21-15-8-10-17(20-13-15)14-6-4-3-5-7-14/h3-13,21H,1-2H3
InChIKeyFFZAXGQKQYQSMC-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.57
Rot. Bonds6

About 3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide

3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide (PubChem CID 110406353) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide
PubChem CID110406353
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)nc2)cc1OC
InChIInChI=1S/C19H18N2O4S/c1-24-18-11-9-16(12-19(18)25-2)26(22,23)21-15-8-10-17(20-13-15)14-6-4-3-5-7-14/h3-13,21H,1-2H3
InChIKeyFFZAXGQKQYQSMC-UHFFFAOYSA-N
XLogP3.57
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
CID 113031264
3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302279
3,4-dimethoxy-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 24995120
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443
3,4-dimethoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
CID 2815269
3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 36618671
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(4-phenylphenyl)benzenesulfonamide;4-phenylaniline
CID 160749115
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 6494027
2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide
CID 110634746
3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532732
3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 91816113

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide (CID 110406353) is 3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)nc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is FFZAXGQKQYQSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-24-18-11-9-16(12-19(18)25-2)26(22,23)21-15-8-10-17(20-13-15)14-6-4-3-5-7-14/h3-13,21H,1-2H3.
What are the key properties of 3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide?
3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 370.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 110406353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).