4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide

C27H23ClN2O3S — CID 94016501

IUPAC4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
SMILESCc1ccccc1[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C27H23ClN2O3S/c1-19-10-8-9-15-23(19)26(20-11-4-2-5-12-20)29-27(31)21-16-17-24(28)25(18-21)34(32,33)30-22-13-6-3-7-14-22/h2-18,26,30H,1H3,(H,29,31)/t26-/m0/s1
InChIKeyGYIXHBIZXIGVRJ-SANMLTNESA-N
MW491.01 g/mol
LogP5.97
Rot. Bonds7

About 4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide

4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide (PubChem CID 94016501) has the molecular formula C27H23ClN2O3S and a molecular weight of 491.01 g/mol. Its IUPAC name is 4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
PubChem CID94016501
Molecular FormulaC27H23ClN2O3S
Molecular Weight491.01 g/mol
Exact Mass490.11
IUPAC Name4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
SMILESCc1ccccc1[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C27H23ClN2O3S/c1-19-10-8-9-15-23(19)26(20-11-4-2-5-12-20)29-27(31)21-16-17-24(28)25(18-21)34(32,33)30-22-13-6-3-7-14-22/h2-18,26,30H,1H3,(H,29,31)/t26-/m0/s1
InChIKeyGYIXHBIZXIGVRJ-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-chloro-N-[(R)-(2-methylphenyl)-phenylmethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 92678457
4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 99949871
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 1263190
4-chloro-N-[(R)-(2-methylphenyl)-phenylmethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 38017636
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 126388612
4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 43909814
4-chloro-N-(2-methyl-6-propan-2-ylphenyl)-3-(phenylsulfamoyl)benzamide
CID 1253800
4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92678214
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 92685251
4-chloro-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 133186415
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 99951817

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide (CID 94016501) is 4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide is Cc1ccccc1[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1.
What is the InChIKey of 4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide?
The InChIKey is GYIXHBIZXIGVRJ-SANMLTNESA-N. The full InChI is InChI=1S/C27H23ClN2O3S/c1-19-10-8-9-15-23(19)26(20-11-4-2-5-12-20)29-27(31)21-16-17-24(28)25(18-21)34(32,33)30-22-13-6-3-7-14-22/h2-18,26,30H,1H3,(H,29,31)/t26-/m0/s1.
What are the key properties of 4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide?
4-chloro-N-[(S)-(2-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)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 94016501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).