5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid

C11H7ClFNO4S2 — CID 61027238

IUPAC5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)s1
InChIInChI=1S/C11H7ClFNO4S2/c12-6-2-1-3-7(10(6)13)14-20(17,18)9-5-4-8(19-9)11(15)16/h1-5,14H,(H,15,16)
InChIKeyHXTSLOZFONYZKK-UHFFFAOYSA-N
MW335.77 g/mol
LogP3.04
Rot. Bonds4

About 5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid

5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61027238) has the molecular formula C11H7ClFNO4S2 and a molecular weight of 335.77 g/mol. Its IUPAC name is 5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61027238
Molecular FormulaC11H7ClFNO4S2
Molecular Weight335.77 g/mol
Exact Mass334.95
IUPAC Name5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)s1
InChIInChI=1S/C11H7ClFNO4S2/c12-6-2-1-3-7(10(6)13)14-20(17,18)9-5-4-8(19-9)11(15)16/h1-5,14H,(H,15,16)
InChIKeyHXTSLOZFONYZKK-UHFFFAOYSA-N
XLogP3.04
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026611
5-[(5-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026497
5-[(2-chloro-6-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 66257029
5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 82888796
5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026864
5-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 61027657
N-(2,3-dichlorophenyl)-5-fluorothiophene-2-sulfonamide
CID 91969516
5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270086
5-[(5-chloro-2-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027646
5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907564
3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide
CID 139011372
3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid
CID 28969153

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 61027238) is 5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)s1.
What is the InChIKey of 5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is HXTSLOZFONYZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO4S2/c12-6-2-1-3-7(10(6)13)14-20(17,18)9-5-4-8(19-9)11(15)16/h1-5,14H,(H,15,16).
What are the key properties of 5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 335.77 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61027238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).