4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide

C22H21ClN2O3S — CID 126388612

IUPAC4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1Cl
InChIInChI=1S/C22H21ClN2O3S/c1-15-8-6-7-11-20(15)25-29(27,28)21-14-18(12-13-19(21)23)22(26)24-16(2)17-9-4-3-5-10-17/h3-14,16,25H,1-2H3,(H,24,26)/t16-/m0/s1
InChIKeyXMGRFPPTVYSWKH-INIZCTEOSA-N
MW428.94 g/mol
LogP4.94
Rot. Bonds6

About 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide

4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 126388612) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID126388612
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC Name4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1Cl
InChIInChI=1S/C22H21ClN2O3S/c1-15-8-6-7-11-20(15)25-29(27,28)21-14-18(12-13-19(21)23)22(26)24-16(2)17-9-4-3-5-10-17/h3-14,16,25H,1-2H3,(H,24,26)/t16-/m0/s1
InChIKeyXMGRFPPTVYSWKH-INIZCTEOSA-N
XLogP4.94
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 ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide
CID 4239611
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 1263190
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 92646861
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 92685251
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 92683182
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 1260972
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-(1-phenylpropyl)benzamide
CID 132613677
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide
CID 99954512
4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 94016501
4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 93486831
3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 2079648
4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 3318602

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide (CID 126388612) is 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide is Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is XMGRFPPTVYSWKH-INIZCTEOSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c1-15-8-6-7-11-20(15)25-29(27,28)21-14-18(12-13-19(21)23)22(26)24-16(2)17-9-4-3-5-10-17/h3-14,16,25H,1-2H3,(H,24,26)/t16-/m0/s1.
What are the key properties of 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide?
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 428.94 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 126388612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).