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

C21H19ClN2O3S — CID 1106277

IUPAC4-[benzyl(methylsulfonyl)amino]-N-(4-chlorophenyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-28(26,27)24(15-16-5-3-2-4-6-16)20-13-7-17(8-14-20)21(25)23-19-11-9-18(22)10-12-19/h2-14H,15H2,1H3,(H,23,25)
InChIKeyLGWCRRIXTQXAIZ-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.56
Rot. Bonds6

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

4-[benzyl(methylsulfonyl)amino]-N-(4-chlorophenyl)benzamide (PubChem CID 1106277) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 4-[benzyl(methylsulfonyl)amino]-N-(4-chlorophenyl)benzamide.

Molecular Properties

Compound Name4-[benzyl(methylsulfonyl)amino]-N-(4-chlorophenyl)benzamide
PubChem CID1106277
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name4-[benzyl(methylsulfonyl)amino]-N-(4-chlorophenyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-28(26,27)24(15-16-5-3-2-4-6-16)20-13-7-17(8-14-20)21(25)23-19-11-9-18(22)10-12-19/h2-14H,15H2,1H3,(H,23,25)
InChIKeyLGWCRRIXTQXAIZ-UHFFFAOYSA-N
XLogP4.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methylsulfonyl)amino]-N-(4-chlorophenyl)benzamide?
The IUPAC name of 4-[benzyl(methylsulfonyl)amino]-N-(4-chlorophenyl)benzamide (CID 1106277) is 4-[benzyl(methylsulfonyl)amino]-N-(4-chlorophenyl)benzamide.
What is the SMILES notation for 4-[benzyl(methylsulfonyl)amino]-N-(4-chlorophenyl)benzamide?
The canonical SMILES for 4-[benzyl(methylsulfonyl)amino]-N-(4-chlorophenyl)benzamide is CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[benzyl(methylsulfonyl)amino]-N-(4-chlorophenyl)benzamide?
The InChIKey is LGWCRRIXTQXAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-28(26,27)24(15-16-5-3-2-4-6-16)20-13-7-17(8-14-20)21(25)23-19-11-9-18(22)10-12-19/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of 4-[benzyl(methylsulfonyl)amino]-N-(4-chlorophenyl)benzamide?
4-[benzyl(methylsulfonyl)amino]-N-(4-chlorophenyl)benzamide has a molecular weight of 414.91 g/mol, XLogP of 4.56, 6 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-(4-chlorophenyl)benzamide is sourced from PubChem (CID 1106277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).