4-[benzenesulfonyl(methyl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide

C28H27N3O6S2 — CID 1278404

IUPAC4-[benzenesulfonyl(methyl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C28H27N3O6S2/c1-20-9-18-27(37-3)26(19-20)30-38(33,34)24-16-12-22(13-17-24)29-28(32)21-10-14-23(15-11-21)31(2)39(35,36)25-7-5-4-6-8-25/h4-19,30H,1-3H3,(H,29,32)
InChIKeyGQVRJHCLHNUKEX-UHFFFAOYSA-N
MW565.67 g/mol
LogP4.88
Rot. Bonds9

About 4-[benzenesulfonyl(methyl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide

4-[benzenesulfonyl(methyl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 1278404) has the molecular formula C28H27N3O6S2 and a molecular weight of 565.67 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide
PubChem CID1278404
Molecular FormulaC28H27N3O6S2
Molecular Weight565.67 g/mol
Exact Mass565.13
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C28H27N3O6S2/c1-20-9-18-27(37-3)26(19-20)30-38(33,34)24-16-12-22(13-17-24)29-28(32)21-10-14-23(15-11-21)31(2)39(35,36)25-7-5-4-6-8-25/h4-19,30H,1-3H3,(H,29,32)
InChIKeyGQVRJHCLHNUKEX-UHFFFAOYSA-N
XLogP4.88
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.67
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide
CID 4565436
4-[benzenesulfonyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 43879853
4-[benzenesulfonyl(methyl)amino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43882282
N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1312611
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881594
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126416137
2,3-dimethoxy-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide
CID 100530709
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43879851
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26538003
2-methoxy-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226771
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880229

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide (CID 1278404) is 4-[benzenesulfonyl(methyl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide is COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is GQVRJHCLHNUKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O6S2/c1-20-9-18-27(37-3)26(19-20)30-38(33,34)24-16-12-22(13-17-24)29-28(32)21-10-14-23(15-11-21)31(2)39(35,36)25-7-5-4-6-8-25/h4-19,30H,1-3H3,(H,29,32).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide?
4-[benzenesulfonyl(methyl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 565.67 g/mol, XLogP of 4.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1278404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).