2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide

C22H21ClN2O3S — CID 1107749

IUPAC2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C22H21ClN2O3S/c1-16-12-13-18(14-20(16)23)24-22(26)19-10-6-7-11-21(19)25(29(2,27)28)15-17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyUYXLGINLRHLIBM-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.87
Rot. Bonds6

About 2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide

2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide (PubChem CID 1107749) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide
PubChem CID1107749
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C22H21ClN2O3S/c1-16-12-13-18(14-20(16)23)24-22(26)19-10-6-7-11-21(19)25(29(2,27)28)15-17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyUYXLGINLRHLIBM-UHFFFAOYSA-N
XLogP4.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide
CID 1106259
2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide
CID 1106248
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)benzamide
CID 1107755
N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide
CID 1361093
N-(3-chloro-4-methylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 100587658
2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]benzamide
CID 43908026
N-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide
CID 98123917
2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide
CID 53280424
2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
CID 1107753
2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide
CID 1298465
N-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide
CID 1278302
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 982875

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide (CID 1107749) is 2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide?
The InChIKey is UYXLGINLRHLIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c1-16-12-13-18(14-20(16)23)24-22(26)19-10-6-7-11-21(19)25(29(2,27)28)15-17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H,24,26).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide?
2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide has a molecular weight of 428.94 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide is sourced from PubChem (CID 1107749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).