3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid

C12H10FNO4S2 — CID 43090747

IUPAC3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ccc(F)cc1NS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C12H10FNO4S2/c1-7-2-3-8(13)6-9(7)14-20(17,18)10-4-5-19-11(10)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyOSERQQMSPJTYIL-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.69
Rot. Bonds4

About 3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid

3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43090747) has the molecular formula C12H10FNO4S2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID43090747
Molecular FormulaC12H10FNO4S2
Molecular Weight315.35 g/mol
Exact Mass315.00
IUPAC Name3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ccc(F)cc1NS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C12H10FNO4S2/c1-7-2-3-8(13)6-9(7)14-20(17,18)10-4-5-19-11(10)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyOSERQQMSPJTYIL-UHFFFAOYSA-N
XLogP2.69
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235697
3-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235706
3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62811245
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235732
3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443081
3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 83073347
3-[(2-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 79042040
3-[(2-bromophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235689
5-[(2-bromo-5-fluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 103752852
5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 7939111
methyl 3-[(2,5-difluorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 6469470

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 43090747) is 3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid is Cc1ccc(F)cc1NS(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is OSERQQMSPJTYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4S2/c1-7-2-3-8(13)6-9(7)14-20(17,18)10-4-5-19-11(10)12(15)16/h2-6,14H,1H3,(H,15,16).
What are the key properties of 3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43090747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).