3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid

C13H12FNO4S2 — CID 107326244

IUPAC3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C13H12FNO4S2/c1-7-5-9(14)6-8(2)12(7)21(18,19)15-10-3-4-20-11(10)13(16)17/h3-6,15H,1-2H3,(H,16,17)
InChIKeyFPRJJUMGRGFLDS-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.00
Rot. Bonds4

About 3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid

3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid (PubChem CID 107326244) has the molecular formula C13H12FNO4S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid
PubChem CID107326244
Molecular FormulaC13H12FNO4S2
Molecular Weight329.37 g/mol
Exact Mass329.02
IUPAC Name3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C13H12FNO4S2/c1-7-5-9(14)6-8(2)12(7)21(18,19)15-10-3-4-20-11(10)13(16)17/h3-6,15H,1-2H3,(H,16,17)
InChIKeyFPRJJUMGRGFLDS-UHFFFAOYSA-N
XLogP3.00
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid (CID 107326244) is 3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid is Cc1cc(F)cc(C)c1S(=O)(=O)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
The InChIKey is FPRJJUMGRGFLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4S2/c1-7-5-9(14)6-8(2)12(7)21(18,19)15-10-3-4-20-11(10)13(16)17/h3-6,15H,1-2H3,(H,16,17).
What are the key properties of 3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid has a molecular weight of 329.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 107326244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).