4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide

C23H23ClN2O3S — CID 4239611

IUPAC4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NC(C)c3ccccc3)ccc2Cl)c1
InChIInChI=1S/C23H23ClN2O3S/c1-15-9-10-16(2)21(13-15)26-30(28,29)22-14-19(11-12-20(22)24)23(27)25-17(3)18-7-5-4-6-8-18/h4-14,17,26H,1-3H3,(H,25,27)
InChIKeyCZNLZIUGJZHKLT-UHFFFAOYSA-N
MW442.97 g/mol
LogP5.25
Rot. Bonds6

About 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide

4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide (PubChem CID 4239611) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide
PubChem CID4239611
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NC(C)c3ccccc3)ccc2Cl)c1
InChIInChI=1S/C23H23ClN2O3S/c1-15-9-10-16(2)21(13-15)26-30(28,29)22-14-19(11-12-20(22)24)23(27)25-17(3)18-7-5-4-6-8-18/h4-14,17,26H,1-3H3,(H,25,27)
InChIKeyCZNLZIUGJZHKLT-UHFFFAOYSA-N
XLogP5.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 126388612
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 1263190
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 1260972
N-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 5141734
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 92683182
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 92676897
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 126415438
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 126388378
3-(benzenesulfonamido)-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 99955648
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 92685251
4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 3318602
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 92646861

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide (CID 4239611) is 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide is Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NC(C)c3ccccc3)ccc2Cl)c1.
What is the InChIKey of 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide?
The InChIKey is CZNLZIUGJZHKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-15-9-10-16(2)21(13-15)26-30(28,29)22-14-19(11-12-20(22)24)23(27)25-17(3)18-7-5-4-6-8-18/h4-14,17,26H,1-3H3,(H,25,27).
What are the key properties of 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide?
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide has a molecular weight of 442.97 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 4239611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).