4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide

C22H21ClN2O3S — CID 1295557

IUPAC4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C22H21ClN2O3S/c1-29(27,28)25(16-17-7-3-2-4-8-17)20-13-11-18(12-14-20)22(26)24-15-19-9-5-6-10-21(19)23/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyNCQJFPAYHBJLPN-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.24
Rot. Bonds7

About 4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide

4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide (PubChem CID 1295557) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is 4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide
PubChem CID1295557
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC Name4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C22H21ClN2O3S/c1-29(27,28)25(16-17-7-3-2-4-8-17)20-13-11-18(12-14-20)22(26)24-15-19-9-5-6-10-21(19)23/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyNCQJFPAYHBJLPN-UHFFFAOYSA-N
XLogP4.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1210619
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 1117135
4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53287059
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 28578789
4-[(N-methylsulfonylanilino)methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767156
4-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide
CID 133185354
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100564011
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide
CID 1311662
4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 1107721
N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1118173
4-[benzyl(methylsulfonyl)amino]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide
CID 28589608
N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1107707

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide?
The IUPAC name of 4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide (CID 1295557) is 4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide.
What is the SMILES notation for 4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide?
The canonical SMILES for 4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide is CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of 4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide?
The InChIKey is NCQJFPAYHBJLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c1-29(27,28)25(16-17-7-3-2-4-8-17)20-13-11-18(12-14-20)22(26)24-15-19-9-5-6-10-21(19)23/h2-14H,15-16H2,1H3,(H,24,26).
What are the key properties of 4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide?
4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide has a molecular weight of 428.94 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide is sourced from PubChem (CID 1295557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).