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

C22H21ClN2O3S — CID 99949544

IUPAC2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccccc1[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccccc1
InChIInChI=1S/C22H21ClN2O3S/c1-15-8-6-7-11-18(15)21(16-9-4-3-5-10-16)24-22(26)19-13-12-17(14-20(19)23)25-29(2,27)28/h3-14,21,25H,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyTYRBGYGESPRHGV-NRFANRHFSA-N
MW428.94 g/mol
LogP4.54
Rot. Bonds6

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

2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide (PubChem CID 99949544) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is 2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
PubChem CID99949544
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC Name2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccccc1[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccccc1
InChIInChI=1S/C22H21ClN2O3S/c1-15-8-6-7-11-18(15)21(16-9-4-3-5-10-16)24-22(26)19-13-12-17(14-20(19)23)25-29(2,27)28/h3-14,21,25H,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyTYRBGYGESPRHGV-NRFANRHFSA-N
XLogP4.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92678214
2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 30399426
2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide
CID 43876402
2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
CID 43877134
2-methyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578946
2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132674716
4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 94016501
2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132673292
2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(methanesulfonamido)benzamide
CID 133189067
4-(benzenesulfonamido)-2-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 94013074
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 43916181
4-chloro-N-[(R)-(2-methylphenyl)-phenylmethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 92678457

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide?
The IUPAC name of 2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide (CID 99949544) is 2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide is Cc1ccccc1[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide?
The InChIKey is TYRBGYGESPRHGV-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c1-15-8-6-7-11-18(15)21(16-9-4-3-5-10-16)24-22(26)19-13-12-17(14-20(19)23)25-29(2,27)28/h3-14,21,25H,1-2H3,(H,24,26)/t21-/m0/s1.
What are the key properties of 2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide?
2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide has a molecular weight of 428.94 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 99949544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).