4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenylpropyl)benzamide

C23H23ClN2O3S — CID 133229135

IUPAC4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenylpropyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(C)c3ccccc3)ccc2Cl)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-16-8-11-20(12-9-16)26-30(28,29)22-14-19(10-13-21(22)24)23(27)25-15-17(2)18-6-4-3-5-7-18/h3-14,17,26H,15H2,1-2H3,(H,25,27)
InChIKeyQYLWXCJDTFDTQY-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.98
Rot. Bonds7

About 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenylpropyl)benzamide

4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenylpropyl)benzamide (PubChem CID 133229135) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenylpropyl)benzamide
PubChem CID133229135
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenylpropyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(C)c3ccccc3)ccc2Cl)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-16-8-11-20(12-9-16)26-30(28,29)22-14-19(10-13-21(22)24)23(27)25-15-17(2)18-6-4-3-5-7-18/h3-14,17,26H,15H2,1-2H3,(H,25,27)
InChIKeyQYLWXCJDTFDTQY-UHFFFAOYSA-N
XLogP4.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 1263190
4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353
4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide
CID 126414386
4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 99949871
4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536278
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-hydroxy-2-phenylethyl)benzamide
CID 55376093
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 92675230
4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 5006992
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 30380701
4-(ethylsulfonylamino)-N-(2-phenylpropyl)benzamide
CID 133163901
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenylpropyl)benzamide?
The IUPAC name of 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenylpropyl)benzamide (CID 133229135) is 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenylpropyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenylpropyl)benzamide?
The canonical SMILES for 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenylpropyl)benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(C)c3ccccc3)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenylpropyl)benzamide?
The InChIKey is QYLWXCJDTFDTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-16-8-11-20(12-9-16)26-30(28,29)22-14-19(10-13-21(22)24)23(27)25-15-17(2)18-6-4-3-5-7-18/h3-14,17,26H,15H2,1-2H3,(H,25,27).
What are the key properties of 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenylpropyl)benzamide?
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenylpropyl)benzamide has a molecular weight of 442.97 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenylpropyl)benzamide is sourced from PubChem (CID 133229135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).