2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide

C27H24N2O3S — CID 1097903

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H24N2O3S/c1-21-12-8-10-18-25(21)28-27(30)24-17-9-11-19-26(24)29(20-22-13-4-2-5-14-22)33(31,32)23-15-6-3-7-16-23/h2-19H,20H2,1H3,(H,28,30)
InChIKeyQIFCJUBXVDIILZ-UHFFFAOYSA-N
MW456.57 g/mol
LogP5.64
Rot. Bonds7

About 2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide

2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide (PubChem CID 1097903) has the molecular formula C27H24N2O3S and a molecular weight of 456.57 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide
PubChem CID1097903
Molecular FormulaC27H24N2O3S
Molecular Weight456.57 g/mol
Exact Mass456.15
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H24N2O3S/c1-21-12-8-10-18-25(21)28-27(30)24-17-9-11-19-26(24)29(20-22-13-4-2-5-14-22)33(31,32)23-15-6-3-7-16-23/h2-19H,20H2,1H3,(H,28,30)
InChIKeyQIFCJUBXVDIILZ-UHFFFAOYSA-N
XLogP5.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.57
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzoate
CID 1365080
2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide
CID 126139068
2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide
CID 1129961
2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide
CID 1203953
2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide
CID 21372596
2-[[2-[benzyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 126116430
methyl 3-[[2-[benzyl-(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4-methylbenzoate
CID 43880657
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(2-methylphenyl)benzamide
CID 2262442
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)benzamide
CID 17312901
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)acetamide
CID 1119922
2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide
CID 2271284
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 99644759

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide (CID 1097903) is 2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide?
The InChIKey is QIFCJUBXVDIILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3S/c1-21-12-8-10-18-25(21)28-27(30)24-17-9-11-19-26(24)29(20-22-13-4-2-5-14-22)33(31,32)23-15-6-3-7-16-23/h2-19H,20H2,1H3,(H,28,30).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide?
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide has a molecular weight of 456.57 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 1097903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).