4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide

C27H23ClN2O3S — CID 99949871

IUPAC4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
SMILESCc1ccc([C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c2ccccc2)cc1
InChIInChI=1S/C27H23ClN2O3S/c1-19-12-14-21(15-13-19)26(20-8-4-2-5-9-20)29-27(31)22-16-17-24(28)25(18-22)34(32,33)30-23-10-6-3-7-11-23/h2-18,26,30H,1H3,(H,29,31)/t26-/m0/s1
InChIKeyDRIGTDFPHZEJHW-SANMLTNESA-N
MW491.01 g/mol
LogP5.97
Rot. Bonds7

About 4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide

4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide (PubChem CID 99949871) has the molecular formula C27H23ClN2O3S and a molecular weight of 491.01 g/mol. Its IUPAC name is 4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
PubChem CID99949871
Molecular FormulaC27H23ClN2O3S
Molecular Weight491.01 g/mol
Exact Mass490.11
IUPAC Name4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
SMILESCc1ccc([C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c2ccccc2)cc1
InChIInChI=1S/C27H23ClN2O3S/c1-19-12-14-21(15-13-19)26(20-8-4-2-5-9-20)29-27(31)22-16-17-24(28)25(18-22)34(32,33)30-23-10-6-3-7-11-23/h2-18,26,30H,1H3,(H,29,31)/t26-/m0/s1
InChIKeyDRIGTDFPHZEJHW-SANMLTNESA-N
XLogP5.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.01
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 43909814
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 1263190
4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 94016501
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 92685251
4-chloro-N-[(R)-(2-methylphenyl)-phenylmethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 92678457
N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 28576591
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenylpropyl)benzamide
CID 133229135
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 92675230
4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide
CID 126414386
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 30380701
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 99951817
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 92676897

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide (CID 99949871) is 4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide is Cc1ccc([C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c2ccccc2)cc1.
What is the InChIKey of 4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide?
The InChIKey is DRIGTDFPHZEJHW-SANMLTNESA-N. The full InChI is InChI=1S/C27H23ClN2O3S/c1-19-12-14-21(15-13-19)26(20-8-4-2-5-9-20)29-27(31)22-16-17-24(28)25(18-22)34(32,33)30-23-10-6-3-7-11-23/h2-18,26,30H,1H3,(H,29,31)/t26-/m0/s1.
What are the key properties of 4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide?
4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide has a molecular weight of 491.01 g/mol, XLogP of 5.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 99949871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).