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

C24H25ClN2O3S — CID 99954512

IUPAC4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1)c1ccccc1
InChIInChI=1S/C24H25ClN2O3S/c1-4-21(18-10-6-5-7-11-18)26-24(28)19-13-14-20(25)23(15-19)31(29,30)27-22-12-8-9-16(2)17(22)3/h5-15,21,27H,4H2,1-3H3,(H,26,28)/t21-/m1/s1
InChIKeyVCUQKAXBVRIIFL-OAQYLSRUSA-N
MW457.00 g/mol
LogP5.64
Rot. Bonds7

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

4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide (PubChem CID 99954512) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide
PubChem CID99954512
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1)c1ccccc1
InChIInChI=1S/C24H25ClN2O3S/c1-4-21(18-10-6-5-7-11-18)26-24(28)19-13-14-20(25)23(15-19)31(29,30)27-22-12-8-9-16(2)17(22)3/h5-15,21,27H,4H2,1-3H3,(H,26,28)/t21-/m1/s1
InChIKeyVCUQKAXBVRIIFL-OAQYLSRUSA-N
XLogP5.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.00
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-(1-phenylpropyl)benzamide
CID 132613677
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylpropyl)benzamide
CID 43907762
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 92685251
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide
CID 94012391
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 93486374
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 99954546
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 126388612
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 5035675
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 92646861
4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 30400896
4-methyl-N-[1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 43906098
4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 93486831

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide?
The IUPAC name of 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide (CID 99954512) is 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide?
The canonical SMILES for 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide is CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1)c1ccccc1.
What is the InChIKey of 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide?
The InChIKey is VCUQKAXBVRIIFL-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-4-21(18-10-6-5-7-11-18)26-24(28)19-13-14-20(25)23(15-19)31(29,30)27-22-12-8-9-16(2)17(22)3/h5-15,21,27H,4H2,1-3H3,(H,26,28)/t21-/m1/s1.
What are the key properties of 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide?
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide has a molecular weight of 457.00 g/mol, XLogP of 5.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide is sourced from PubChem (CID 99954512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).