2-chloro-6-fluoro-N-(4-sulfamoylphenyl)benzamide

C13H10ClFN2O3S — CID 2814184

IUPAC2-chloro-6-fluoro-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C13H10ClFN2O3S/c14-10-2-1-3-11(15)12(10)13(18)17-8-4-6-9(7-5-8)21(16,19)20/h1-7H,(H,17,18)(H2,16,19,20)
InChIKeyDVBQKIXPCUHDDT-UHFFFAOYSA-N
MW328.75 g/mol
LogP2.38
Rot. Bonds3

About 2-chloro-6-fluoro-N-(4-sulfamoylphenyl)benzamide

2-chloro-6-fluoro-N-(4-sulfamoylphenyl)benzamide (PubChem CID 2814184) has the molecular formula C13H10ClFN2O3S and a molecular weight of 328.75 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(4-sulfamoylphenyl)benzamide
PubChem CID2814184
Molecular FormulaC13H10ClFN2O3S
Molecular Weight328.75 g/mol
Exact Mass328.01
IUPAC Name2-chloro-6-fluoro-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C13H10ClFN2O3S/c14-10-2-1-3-11(15)12(10)13(18)17-8-4-6-9(7-5-8)21(16,19)20/h1-7H,(H,17,18)(H2,16,19,20)
InChIKeyDVBQKIXPCUHDDT-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(4-sulfamoylphenyl)benzamide (CID 2814184) is 2-chloro-6-fluoro-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(4-sulfamoylphenyl)benzamide is NS(=O)(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-chloro-6-fluoro-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is DVBQKIXPCUHDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O3S/c14-10-2-1-3-11(15)12(10)13(18)17-8-4-6-9(7-5-8)21(16,19)20/h1-7H,(H,17,18)(H2,16,19,20).
What are the key properties of 2-chloro-6-fluoro-N-(4-sulfamoylphenyl)benzamide?
2-chloro-6-fluoro-N-(4-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-6-fluoro-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 2814184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).