5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid

C13H12FNO4S2 — CID 60728615

IUPAC5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid
SMILESCc1cc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c(C)s1
InChIInChI=1S/C13H12FNO4S2/c1-7-5-12(8(2)20-7)21(18,19)15-9-3-4-11(14)10(6-9)13(16)17/h3-6,15H,1-2H3,(H,16,17)
InChIKeyZJEQTDWDLBWQQG-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.00
Rot. Bonds4

About 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid

5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid (PubChem CID 60728615) has the molecular formula C13H12FNO4S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid
PubChem CID60728615
Molecular FormulaC13H12FNO4S2
Molecular Weight329.37 g/mol
Exact Mass329.02
IUPAC Name5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid
SMILESCc1cc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c(C)s1
InChIInChI=1S/C13H12FNO4S2/c1-7-5-12(8(2)20-7)21(18,19)15-9-3-4-11(14)10(6-9)13(16)17/h3-6,15H,1-2H3,(H,16,17)
InChIKeyZJEQTDWDLBWQQG-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

Analyze 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 43238239
1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea
CID 31075764
N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 39769709
2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid
CID 164623522
N-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide
CID 61221447
N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 42545354
4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63327978
3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate
CID 3378223
5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid
CID 155532593
2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 61359529
2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide
CID 47072250
2-fluoro-4-[(5-methoxy-2-methylphenyl)sulfonylamino]benzoic acid
CID 166229174

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid?
The IUPAC name of 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid (CID 60728615) is 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid.
What is the SMILES notation for 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid?
The canonical SMILES for 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid is Cc1cc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c(C)s1.
What is the InChIKey of 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid?
The InChIKey is ZJEQTDWDLBWQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4S2/c1-7-5-12(8(2)20-7)21(18,19)15-9-3-4-11(14)10(6-9)13(16)17/h3-6,15H,1-2H3,(H,16,17).
What are the key properties of 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid?
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic 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 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid is sourced from PubChem (CID 60728615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).