2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide

C21H19N3O4S — CID 17201011

IUPAC2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide
SMILESCN(c1ccc(C(=O)Nc2ccccc2C(N)=O)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H19N3O4S/c1-24(29(27,28)17-7-3-2-4-8-17)16-13-11-15(12-14-16)21(26)23-19-10-6-5-9-18(19)20(22)25/h2-14H,1H3,(H2,22,25)(H,23,26)
InChIKeyPAGVDNHRPQDOLW-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.86
Rot. Bonds6

About 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide

2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide (PubChem CID 17201011) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide
PubChem CID17201011
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC Name2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide
SMILESCN(c1ccc(C(=O)Nc2ccccc2C(N)=O)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H19N3O4S/c1-24(29(27,28)17-7-3-2-4-8-17)16-13-11-15(12-14-16)21(26)23-19-10-6-5-9-18(19)20(22)25/h2-14H,1H3,(H2,22,25)(H,23,26)
InChIKeyPAGVDNHRPQDOLW-UHFFFAOYSA-N
XLogP2.86
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoic acid
CID 1339367
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 1317789
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide
CID 2943385
N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26067652
4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide
CID 126140576
N-(2-hydroxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 18126261
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1302890
2-benzamidobenzamide
CID 702115
2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 55413423
N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 7920184
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
N-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55613605

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide?
The IUPAC name of 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide (CID 17201011) is 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide.
What is the SMILES notation for 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide?
The canonical SMILES for 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide is CN(c1ccc(C(=O)Nc2ccccc2C(N)=O)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide?
The InChIKey is PAGVDNHRPQDOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-24(29(27,28)17-7-3-2-4-8-17)16-13-11-15(12-14-16)21(26)23-19-10-6-5-9-18(19)20(22)25/h2-14H,1H3,(H2,22,25)(H,23,26).
What are the key properties of 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide?
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide has a molecular weight of 409.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide is sourced from PubChem (CID 17201011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).