4-[benzenesulfonyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide

C27H25N3O5S2 — CID 43879853

IUPAC4-[benzenesulfonyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C27H25N3O5S2/c1-20-7-6-8-23(19-20)29-36(32,33)25-17-13-22(14-18-25)28-27(31)21-11-15-24(16-12-21)30(2)37(34,35)26-9-4-3-5-10-26/h3-19,29H,1-2H3,(H,28,31)
InChIKeyKHYUHEBRQMQJJM-UHFFFAOYSA-N
MW535.65 g/mol
LogP4.87
Rot. Bonds8

About 4-[benzenesulfonyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide

4-[benzenesulfonyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 43879853) has the molecular formula C27H25N3O5S2 and a molecular weight of 535.65 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
PubChem CID43879853
Molecular FormulaC27H25N3O5S2
Molecular Weight535.65 g/mol
Exact Mass535.12
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C27H25N3O5S2/c1-20-7-6-8-23(19-20)29-36(32,33)25-17-13-22(14-18-25)28-27(31)21-11-15-24(16-12-21)30(2)37(34,35)26-9-4-3-5-10-26/h3-19,29H,1-2H3,(H,28,31)
InChIKeyKHYUHEBRQMQJJM-UHFFFAOYSA-N
XLogP4.87
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.65
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 18891060
4-[benzenesulfonyl(methyl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide
CID 1278404
4-[benzenesulfonyl(methyl)amino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43882282
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 3547100
4-(dimethylsulfamoyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638138
4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109061613
4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 126182412
3-[[4-[methyl-(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 992228
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
N-(3-hydroxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 78783187
4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1296255

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide (CID 43879853) is 4-[benzenesulfonyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide is Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)cc2)c1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is KHYUHEBRQMQJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5S2/c1-20-7-6-8-23(19-20)29-36(32,33)25-17-13-22(14-18-25)28-27(31)21-11-15-24(16-12-21)30(2)37(34,35)26-9-4-3-5-10-26/h3-19,29H,1-2H3,(H,28,31).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide?
4-[benzenesulfonyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 535.65 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 43879853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).