4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide

C29H27ClN2O3S — CID 92685251

IUPAC4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc([C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c2ccccc2)cc1
InChIInChI=1S/C29H27ClN2O3S/c1-19-12-14-23(15-13-19)28(22-9-5-4-6-10-22)31-29(33)24-16-17-25(30)27(18-24)36(34,35)32-26-11-7-8-20(2)21(26)3/h4-18,28,32H,1-3H3,(H,31,33)/t28-/m0/s1
InChIKeyGTQOJQMQQZSAPK-NDEPHWFRSA-N
MW519.07 g/mol
LogP6.59
Rot. Bonds7

About 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide

4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide (PubChem CID 92685251) has the molecular formula C29H27ClN2O3S and a molecular weight of 519.07 g/mol. Its IUPAC name is 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
PubChem CID92685251
Molecular FormulaC29H27ClN2O3S
Molecular Weight519.07 g/mol
Exact Mass518.14
IUPAC Name4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc([C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c2ccccc2)cc1
InChIInChI=1S/C29H27ClN2O3S/c1-19-12-14-23(15-13-19)28(22-9-5-4-6-10-22)31-29(33)24-16-17-25(30)27(18-24)36(34,35)32-26-11-7-8-20(2)21(26)3/h4-18,28,32H,1-3H3,(H,31,33)/t28-/m0/s1
InChIKeyGTQOJQMQQZSAPK-NDEPHWFRSA-N
XLogP6.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.07
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 99949871
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide
CID 99954512
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-(1-phenylpropyl)benzamide
CID 132613677
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 92646861
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 126388612
4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 93486831
4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 43909814
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide
CID 4239611
4-chloro-N-[(R)-(2-methylphenyl)-phenylmethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 92678457
4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 94016501
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 5035675
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 93486374

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide?
The IUPAC name of 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide (CID 92685251) is 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide is Cc1ccc([C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c2ccccc2)cc1.
What is the InChIKey of 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide?
The InChIKey is GTQOJQMQQZSAPK-NDEPHWFRSA-N. The full InChI is InChI=1S/C29H27ClN2O3S/c1-19-12-14-23(15-13-19)28(22-9-5-4-6-10-22)31-29(33)24-16-17-25(30)27(18-24)36(34,35)32-26-11-7-8-20(2)21(26)3/h4-18,28,32H,1-3H3,(H,31,33)/t28-/m0/s1.
What are the key properties of 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide?
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide has a molecular weight of 519.07 g/mol, XLogP of 6.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 92685251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).