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

C11H7BrFNO4S2 — CID 39824519

IUPAC5-bromo-4-[(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccccc2F)c(Br)s1
InChIInChI=1S/C11H7BrFNO4S2/c12-10-9(5-8(19-10)11(15)16)20(17,18)14-7-4-2-1-3-6(7)13/h1-5,14H,(H,15,16)
InChIKeyJXSYPLGLMVZQFP-UHFFFAOYSA-N
MW380.22 g/mol
LogP3.15
Rot. Bonds4

About 5-bromo-4-[(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 39824519) has the molecular formula C11H7BrFNO4S2 and a molecular weight of 380.22 g/mol. Its IUPAC name is 5-bromo-4-[(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID39824519
Molecular FormulaC11H7BrFNO4S2
Molecular Weight380.22 g/mol
Exact Mass378.90
IUPAC Name5-bromo-4-[(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccccc2F)c(Br)s1
InChIInChI=1S/C11H7BrFNO4S2/c12-10-9(5-8(19-10)11(15)16)20(17,18)14-7-4-2-1-3-6(7)13/h1-5,14H,(H,15,16)
InChIKeyJXSYPLGLMVZQFP-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 39824519) is 5-bromo-4-[(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccccc2F)c(Br)s1.
What is the InChIKey of 5-bromo-4-[(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is JXSYPLGLMVZQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO4S2/c12-10-9(5-8(19-10)11(15)16)20(17,18)14-7-4-2-1-3-6(7)13/h1-5,14H,(H,15,16).
What are the key properties of 5-bromo-4-[(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[(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 5-bromo-4-[(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 39824519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).