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

C21H18ClFN2O3S — CID 4217284

IUPAC4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)ccc2Cl)cc1C
InChIInChI=1S/C21H18ClFN2O3S/c1-13-6-8-18(10-14(13)2)25-29(27,28)20-11-15(7-9-19(20)22)21(26)24-17-5-3-4-16(23)12-17/h3-12,25H,1-2H3,(H,24,26)
InChIKeyBVORBQABCVOKBV-UHFFFAOYSA-N
MW432.90 g/mol
LogP5.15
Rot. Bonds5

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

4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide (PubChem CID 4217284) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
PubChem CID4217284
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC Name4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)ccc2Cl)cc1C
InChIInChI=1S/C21H18ClFN2O3S/c1-13-6-8-18(10-14(13)2)25-29(27,28)20-11-15(7-9-19(20)22)21(26)24-17-5-3-4-16(23)12-17/h3-12,25H,1-2H3,(H,24,26)
InChIKeyBVORBQABCVOKBV-UHFFFAOYSA-N
XLogP5.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.90
LogP ≤ 55.15
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-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 26579304
4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126388299
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126414226
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 1266797
4-chloro-N-(3,5-dimethylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388373
4-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126415021
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 126415688
4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 2304457
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 46763644

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
The IUPAC name of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide (CID 4217284) is 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)ccc2Cl)cc1C.
What is the InChIKey of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
The InChIKey is BVORBQABCVOKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c1-13-6-8-18(10-14(13)2)25-29(27,28)20-11-15(7-9-19(20)22)21(26)24-17-5-3-4-16(23)12-17/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide has a molecular weight of 432.90 g/mol, XLogP of 5.15, 5 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]-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 4217284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).