4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide

C25H27ClN2O3S — CID 99954546

IUPAC4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccc(C)cc1
InChIInChI=1S/C25H27ClN2O3S/c1-5-22(19-9-6-16(2)7-10-19)27-25(29)20-11-12-21(26)24(15-20)32(30,31)28-23-13-8-17(3)14-18(23)4/h6-15,22,28H,5H2,1-4H3,(H,27,29)/t22-/m1/s1
InChIKeyPYBBQWVKZMAIKL-JOCHJYFZSA-N
MW471.02 g/mol
LogP5.95
Rot. Bonds7

About 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide

4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide (PubChem CID 99954546) has the molecular formula C25H27ClN2O3S and a molecular weight of 471.02 g/mol. Its IUPAC name is 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
PubChem CID99954546
Molecular FormulaC25H27ClN2O3S
Molecular Weight471.02 g/mol
Exact Mass470.14
IUPAC Name4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccc(C)cc1
InChIInChI=1S/C25H27ClN2O3S/c1-5-22(19-9-6-16(2)7-10-19)27-25(29)20-11-12-21(26)24(15-20)32(30,31)28-23-13-8-17(3)14-18(23)4/h6-15,22,28H,5H2,1-4H3,(H,27,29)/t22-/m1/s1
InChIKeyPYBBQWVKZMAIKL-JOCHJYFZSA-N
XLogP5.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.02
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 30395320
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 92675230
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 5030866
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide
CID 43905793
4-methyl-N-[1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 43906098
4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 30400896
3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 93486433
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 92683182
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide
CID 3680171
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-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 30398276

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide?
The IUPAC name of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide (CID 99954546) is 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide?
The canonical SMILES for 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide is CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccc(C)cc1.
What is the InChIKey of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide?
The InChIKey is PYBBQWVKZMAIKL-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H27ClN2O3S/c1-5-22(19-9-6-16(2)7-10-19)27-25(29)20-11-12-21(26)24(15-20)32(30,31)28-23-13-8-17(3)14-18(23)4/h6-15,22,28H,5H2,1-4H3,(H,27,29)/t22-/m1/s1.
What are the key properties of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide?
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide has a molecular weight of 471.02 g/mol, XLogP of 5.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide is sourced from PubChem (CID 99954546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).