4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide

C15H15ClN2O3S — CID 1266797

IUPAC4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(N)=O)ccc2Cl)cc1C
InChIInChI=1S/C15H15ClN2O3S/c1-9-3-5-12(7-10(9)2)18-22(20,21)14-8-11(15(17)19)4-6-13(14)16/h3-8,18H,1-2H3,(H2,17,19)
InChIKeyIGBOVYWVLYXQPH-UHFFFAOYSA-N
MW338.82 g/mol
LogP2.86
Rot. Bonds4

About 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide

4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 1266797) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
PubChem CID1266797
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(N)=O)ccc2Cl)cc1C
InChIInChI=1S/C15H15ClN2O3S/c1-9-3-5-12(7-10(9)2)18-22(20,21)14-8-11(15(17)19)4-6-13(14)16/h3-8,18H,1-2H3,(H2,17,19)
InChIKeyIGBOVYWVLYXQPH-UHFFFAOYSA-N
XLogP2.86
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126388299
4-chloro-N-(2,4-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126413394
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 4217284
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 3629479
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 92676897
4-chloro-3-[(4-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 80695158
4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methyl-N-propan-2-ylbenzamide
CID 78843928
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
N-(4-butylphenyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126416752
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide
CID 94012391
4-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide
CID 60532889

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide (CID 1266797) is 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(N)=O)ccc2Cl)cc1C.
What is the InChIKey of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is IGBOVYWVLYXQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-9-3-5-12(7-10(9)2)18-22(20,21)14-8-11(15(17)19)4-6-13(14)16/h3-8,18H,1-2H3,(H2,17,19).
What are the key properties of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide?
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 338.82 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 1266797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).