2,5-dibromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-3-carboxamide

C11H7Br2FN2O3S2 — CID 107965284

IUPAC2,5-dibromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc(Br)sc2Br)c(F)c1
InChIInChI=1S/C11H7Br2FN2O3S2/c12-9-4-6(10(13)20-9)11(17)16-8-2-1-5(3-7(8)14)21(15,18)19/h1-4H,(H,16,17)(H2,15,18,19)
InChIKeyHXXQOSGPIUNKMD-UHFFFAOYSA-N
MW458.13 g/mol
LogP3.31
Rot. Bonds3

About 2,5-dibromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-3-carboxamide

2,5-dibromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-3-carboxamide (PubChem CID 107965284) has the molecular formula C11H7Br2FN2O3S2 and a molecular weight of 458.13 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-3-carboxamide
PubChem CID107965284
Molecular FormulaC11H7Br2FN2O3S2
Molecular Weight458.13 g/mol
Exact Mass455.82
IUPAC Name2,5-dibromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc(Br)sc2Br)c(F)c1
InChIInChI=1S/C11H7Br2FN2O3S2/c12-9-4-6(10(13)20-9)11(17)16-8-2-1-5(3-7(8)14)21(15,18)19/h1-4H,(H,16,17)(H2,15,18,19)
InChIKeyHXXQOSGPIUNKMD-UHFFFAOYSA-N
XLogP3.31
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.13
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide
CID 107965297
5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide
CID 79999807
2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide
CID 103820442
3-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide
CID 63297240
N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide
CID 61129962
2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide
CID 107961994
2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide
CID 113237204
N-(2-fluoro-4-sulfamoylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 43134041
2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide
CID 103674569
N-(2-fluoro-4-sulfamoylphenyl)furan-2-carboxamide
CID 61129773
N-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide
CID 107965275
N-(2-fluoro-4-sulfamoylphenyl)-6-methylpyridine-2-carboxamide
CID 43246650

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-3-carboxamide (CID 107965284) is 2,5-dibromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-3-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2cc(Br)sc2Br)c(F)c1.
What is the InChIKey of 2,5-dibromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-3-carboxamide?
The InChIKey is HXXQOSGPIUNKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2FN2O3S2/c12-9-4-6(10(13)20-9)11(17)16-8-2-1-5(3-7(8)14)21(15,18)19/h1-4H,(H,16,17)(H2,15,18,19).
What are the key properties of 2,5-dibromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-3-carboxamide?
2,5-dibromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-3-carboxamide has a molecular weight of 458.13 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 107965284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).