2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide

C13H9Cl2FN2O3S — CID 36704856

IUPAC2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H9Cl2FN2O3S/c14-10-3-2-8(22(17,20)21)6-9(10)13(19)18-7-1-4-12(16)11(15)5-7/h1-6H,(H,18,19)(H2,17,20,21)
InChIKeyYWLIEEPTDFLHST-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.03
Rot. Bonds3

About 2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide

2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide (PubChem CID 36704856) has the molecular formula C13H9Cl2FN2O3S and a molecular weight of 363.20 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide
PubChem CID36704856
Molecular FormulaC13H9Cl2FN2O3S
Molecular Weight363.20 g/mol
Exact Mass361.97
IUPAC Name2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H9Cl2FN2O3S/c14-10-3-2-8(22(17,20)21)6-9(10)13(19)18-7-1-4-12(16)11(15)5-7/h1-6H,(H,18,19)(H2,17,20,21)
InChIKeyYWLIEEPTDFLHST-UHFFFAOYSA-N
XLogP3.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(3-chloro-4-fluorophenyl)-2-(4-sulfamoylphenyl)sulfanylbenzamide
CID 75534018
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-sulfamoylbenzamide
CID 121267983
N-(3,4-dichlorophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 4793034
3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid
CID 1144108
N-(3-chloro-4-methoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7479079
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-fluoro-5-sulfamoylbenzamide
CID 47013774
2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide
CID 42912001
5-amino-N-(3-chloro-4-fluorophenyl)-2-nitrobenzamide
CID 62154053
2,3-difluoro-N-(4-sulfamoylphenyl)benzamide
CID 62649490
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
N-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide
CID 103602066

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide (CID 36704856) is 2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide is NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide?
The InChIKey is YWLIEEPTDFLHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O3S/c14-10-3-2-8(22(17,20)21)6-9(10)13(19)18-7-1-4-12(16)11(15)5-7/h1-6H,(H,18,19)(H2,17,20,21).
What are the key properties of 2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide?
2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide has a molecular weight of 363.20 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 36704856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).