3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid

C11H7BrFNO4S2 — CID 43235732

IUPAC3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H7BrFNO4S2/c12-6-1-2-8(7(13)5-6)14-20(17,18)9-3-4-19-10(9)11(15)16/h1-5,14H,(H,15,16)
InChIKeyJNGNEMSHBMFMAD-UHFFFAOYSA-N
MW380.22 g/mol
LogP3.15
Rot. Bonds4

About 3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid

3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43235732) has the molecular formula C11H7BrFNO4S2 and a molecular weight of 380.22 g/mol. Its IUPAC name is 3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID43235732
Molecular FormulaC11H7BrFNO4S2
Molecular Weight380.22 g/mol
Exact Mass378.90
IUPAC Name3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H7BrFNO4S2/c12-6-1-2-8(7(13)5-6)14-20(17,18)9-3-4-19-10(9)11(15)16/h1-5,14H,(H,15,16)
InChIKeyJNGNEMSHBMFMAD-UHFFFAOYSA-N
XLogP3.15
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-bromophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235689
3-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235706
3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43090747
3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443081
3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62811245
3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 83073347
2-[(4-bromo-2-fluorophenyl)sulfamoyl]acetic acid
CID 28774124
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235697
2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 47257455
3-[(2-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 79042040

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 43235732) is 3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of 3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is JNGNEMSHBMFMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO4S2/c12-6-1-2-8(7(13)5-6)14-20(17,18)9-3-4-19-10(9)11(15)16/h1-5,14H,(H,15,16).
What are the key properties of 3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 380.22 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43235732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).