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

C11H8BrFN2O3S2 — CID 63297240

IUPAC3-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2sccc2Br)c(F)c1
InChIInChI=1S/C11H8BrFN2O3S2/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)
InChIKeyNBEUJJSATSJGMI-UHFFFAOYSA-N
MW379.23 g/mol
LogP2.55
Rot. Bonds3

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

3-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide (PubChem CID 63297240) has the molecular formula C11H8BrFN2O3S2 and a molecular weight of 379.23 g/mol. Its IUPAC name is 3-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide
PubChem CID63297240
Molecular FormulaC11H8BrFN2O3S2
Molecular Weight379.23 g/mol
Exact Mass377.91
IUPAC Name3-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2sccc2Br)c(F)c1
InChIInChI=1S/C11H8BrFN2O3S2/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)
InChIKeyNBEUJJSATSJGMI-UHFFFAOYSA-N
XLogP2.55
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(2,4-difluorophenyl)thiophene-2-carboxamide
CID 47231630
N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide
CID 61129962
2,5-dibromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-3-carboxamide
CID 107965284
N-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide
CID 81119012
5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide
CID 79999807
N-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide
CID 63804092
N-(2-fluoro-4-sulfamoylphenyl)furan-2-carboxamide
CID 61129773
1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea
CID 79162190
2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid
CID 55240484
N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129598
N-(2-fluoro-4-sulfamoylphenyl)-6-methylpyridine-2-carboxamide
CID 43246650
N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
CID 104520209

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide (CID 63297240) is 3-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2sccc2Br)c(F)c1.
What is the InChIKey of 3-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide?
The InChIKey is NBEUJJSATSJGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O3S2/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-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide?
3-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide has a molecular weight of 379.23 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 63297240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).