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

C21H19ClN2O3S — CID 4940243

IUPAC3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1C
InChIInChI=1S/C21H19ClN2O3S/c1-14-6-7-19(12-15(14)2)24-28(26,27)20-10-8-18(9-11-20)23-21(25)16-4-3-5-17(22)13-16/h3-13,24H,1-2H3,(H,23,25)
InChIKeyZWHGDSHGQGIUHW-UHFFFAOYSA-N
MW414.91 g/mol
LogP5.01
Rot. Bonds5

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

3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 4940243) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
PubChem CID4940243
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1C
InChIInChI=1S/C21H19ClN2O3S/c1-14-6-7-19(12-15(14)2)24-28(26,27)20-10-8-18(9-11-20)23-21(25)16-4-3-5-17(22)13-16/h3-13,24H,1-2H3,(H,23,25)
InChIKeyZWHGDSHGQGIUHW-UHFFFAOYSA-N
XLogP5.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.91
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1310856
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(methylsulfamoyl)benzamide
CID 31307957
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3918199
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26979177
methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26886837
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 46763644
3-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)benzamide
CID 9412716
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 26579304
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126388299

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide (CID 4940243) is 3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1C.
What is the InChIKey of 3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is ZWHGDSHGQGIUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-14-6-7-19(12-15(14)2)24-28(26,27)20-10-8-18(9-11-20)23-21(25)16-4-3-5-17(22)13-16/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of 3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide?
3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 414.91 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 4940243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).