2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide

C13H10ClFN2O3S — CID 61132724

IUPAC2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1cc(F)cc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C13H10ClFN2O3S/c14-12-4-2-1-3-11(12)13(18)17-9-5-8(15)6-10(7-9)21(16,19)20/h1-7H,(H,17,18)(H2,16,19,20)
InChIKeyBXDFVEROGMXWSC-UHFFFAOYSA-N
MW328.75 g/mol
LogP2.38
Rot. Bonds3

About 2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide

2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide (PubChem CID 61132724) has the molecular formula C13H10ClFN2O3S and a molecular weight of 328.75 g/mol. Its IUPAC name is 2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide
PubChem CID61132724
Molecular FormulaC13H10ClFN2O3S
Molecular Weight328.75 g/mol
Exact Mass328.01
IUPAC Name2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1cc(F)cc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C13H10ClFN2O3S/c14-12-4-2-1-3-11(12)13(18)17-9-5-8(15)6-10(7-9)21(16,19)20/h1-7H,(H,17,18)(H2,16,19,20)
InChIKeyBXDFVEROGMXWSC-UHFFFAOYSA-N
XLogP2.38
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(3-fluoro-5-sulfamoylphenyl)thiophene-3-carboxamide
CID 103727937
2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 115539982
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928
N-(3,5-difluorophenyl)-4-sulfamoylbenzamide
CID 27055023
1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea
CID 78993821
N-(3-fluoro-5-sulfamoylphenyl)-6-methylpyridine-3-carboxamide
CID 51975647
N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
CID 107575419
N-(3-chloro-4-fluorophenyl)-2-(4-sulfamoylphenyl)sulfanylbenzamide
CID 75534018
3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide
CID 61132230
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide
CID 56527757
2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide
CID 36704856
N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 63362226

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide?
The IUPAC name of 2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide (CID 61132724) is 2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide?
The canonical SMILES for 2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide is NS(=O)(=O)c1cc(F)cc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide?
The InChIKey is BXDFVEROGMXWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O3S/c14-12-4-2-1-3-11(12)13(18)17-9-5-8(15)6-10(7-9)21(16,19)20/h1-7H,(H,17,18)(H2,16,19,20).
What are the key properties of 2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide?
2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide has a molecular weight of 328.75 g/mol, XLogP of 2.38, 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-fluoro-5-sulfamoylphenyl)benzamide is sourced from PubChem (CID 61132724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).