2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid

C13H12FNO4S2 — CID 28546366

IUPAC2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(CC(=O)O)s2)cc1F
InChIInChI=1S/C13H12FNO4S2/c1-8-2-3-9(6-11(8)14)15-21(18,19)13-5-4-10(20-13)7-12(16)17/h2-6,15H,7H2,1H3,(H,16,17)
InChIKeyLHNARRTUEFJLQO-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.62
Rot. Bonds5

About 2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 28546366) has the molecular formula C13H12FNO4S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID28546366
Molecular FormulaC13H12FNO4S2
Molecular Weight329.37 g/mol
Exact Mass329.02
IUPAC Name2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(CC(=O)O)s2)cc1F
InChIInChI=1S/C13H12FNO4S2/c1-8-2-3-9(6-11(8)14)15-21(18,19)13-5-4-10(20-13)7-12(16)17/h2-6,15H,7H2,1H3,(H,16,17)
InChIKeyLHNARRTUEFJLQO-UHFFFAOYSA-N
XLogP2.62
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026479
5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8501268
2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29267010
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43520881
5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43155731
N-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide
CID 53067981
2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060132
N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936257
2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29080256
2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 107594798
2-[5-[(5-fluoro-2-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 65479671

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid (CID 28546366) is 2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid is Cc1ccc(NS(=O)(=O)c2ccc(CC(=O)O)s2)cc1F.
What is the InChIKey of 2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is LHNARRTUEFJLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4S2/c1-8-2-3-9(6-11(8)14)15-21(18,19)13-5-4-10(20-13)7-12(16)17/h2-6,15H,7H2,1H3,(H,16,17).
What are the key properties of 2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 329.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 28546366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).