3-chloro-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide

C11H8ClFN2O3S2 — CID 80641061

IUPAC3-chloro-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2sccc2Cl)c(F)c1
InChIInChI=1S/C11H8ClFN2O3S2/c12-7-3-4-19-10(7)11(16)15-9-2-1-6(5-8(9)13)20(14,17)18/h1-5H,(H,15,16)(H2,14,17,18)
InChIKeyVXSKZFYYIWSTEZ-UHFFFAOYSA-N
MW334.78 g/mol
LogP2.44
Rot. Bonds3

About 3-chloro-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide

3-chloro-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide (PubChem CID 80641061) has the molecular formula C11H8ClFN2O3S2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 3-chloro-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide
PubChem CID80641061
Molecular FormulaC11H8ClFN2O3S2
Molecular Weight334.78 g/mol
Exact Mass333.96
IUPAC Name3-chloro-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2sccc2Cl)c(F)c1
InChIInChI=1S/C11H8ClFN2O3S2/c12-7-3-4-19-10(7)11(16)15-9-2-1-6(5-8(9)13)20(14,17)18/h1-5H,(H,15,16)(H2,14,17,18)
InChIKeyVXSKZFYYIWSTEZ-UHFFFAOYSA-N
XLogP2.44
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide (CID 80641061) is 3-chloro-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2sccc2Cl)c(F)c1.
What is the InChIKey of 3-chloro-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide?
The InChIKey is VXSKZFYYIWSTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O3S2/c12-7-3-4-19-10(7)11(16)15-9-2-1-6(5-8(9)13)20(14,17)18/h1-5H,(H,15,16)(H2,14,17,18).
What are the key properties of 3-chloro-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide?
3-chloro-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide has a molecular weight of 334.78 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 80641061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).