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

C20H17ClN2O3S — CID 2687813

IUPAC3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1
InChIInChI=1S/C20H17ClN2O3S/c1-14-9-11-16(12-10-14)22-20(24)15-5-4-6-17(13-15)27(25,26)23-19-8-3-2-7-18(19)21/h2-13,23H,1H3,(H,22,24)
InChIKeyOLXRXTKHMWMIEG-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.70
Rot. Bonds5

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

3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide (PubChem CID 2687813) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
PubChem CID2687813
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC Name3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1
InChIInChI=1S/C20H17ClN2O3S/c1-14-9-11-16(12-10-14)22-20(24)15-5-4-6-17(13-15)27(25,26)23-19-8-3-2-7-18(19)21/h2-13,23H,1H3,(H,22,24)
InChIKeyOLXRXTKHMWMIEG-UHFFFAOYSA-N
XLogP4.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 26593186
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 39265874
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065731
3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109065673
3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 43016560
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9411412
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 26593108
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126412707
N-[2-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55972452
methyl 2-[3-[[3-[(2-chlorophenyl)sulfamoyl]benzoyl]amino]phenoxy]acetate
CID 46405073

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide (CID 2687813) is 3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide?
The InChIKey is OLXRXTKHMWMIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c1-14-9-11-16(12-10-14)22-20(24)15-5-4-6-17(13-15)27(25,26)23-19-8-3-2-7-18(19)21/h2-13,23H,1H3,(H,22,24).
What are the key properties of 3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide?
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide has a molecular weight of 400.89 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 2687813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).