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

C13H12FNO4S2 — CID 28892210

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

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

2-[5-[(2-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 28892210) has the molecular formula C13H12FNO4S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-[5-[(2-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID28892210
Molecular FormulaC13H12FNO4S2
Molecular Weight329.37 g/mol
Exact Mass329.02
IUPAC Name2-[5-[(2-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(CC(=O)O)s2)c(F)c1
InChIInChI=1S/C13H12FNO4S2/c1-8-2-4-11(10(14)6-8)15-21(18,19)13-5-3-9(20-13)7-12(16)17/h2-6,15H,7H2,1H3,(H,16,17)
InChIKeyCMTDOIYMCUDXLZ-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

4-(Thiophene-2-sulfonamido)benzoic acid
CID 873172
5-[(3-Iodophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314539
5-[(3-Ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314463
2-[(5-Ethylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
CID 51121391
3-[(5-Ethylthiophen-2-yl)sulfonylamino]-4-fluorobenzoic acid
CID 53535832
5-[(5-Ethylthiophen-2-yl)sulfonylamino]-2,4-difluorobenzoic acid
CID 56816757
Methyl 3-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832127
3-Methyl-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
CID 51115482
3-Methyl-5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
CID 51115487
3-Methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
CID 51121366
5-[[4-Fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 51124114
3-Methyl-5-[[4-(trifluoromethylsulfinyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
CID 72106577

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[(2-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid (CID 28892210) is 2-[5-[(2-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(2-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(2-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid is Cc1ccc(NS(=O)(=O)c2ccc(CC(=O)O)s2)c(F)c1.
What is the InChIKey of 2-[5-[(2-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is CMTDOIYMCUDXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4S2/c1-8-2-4-11(10(14)6-8)15-21(18,19)13-5-3-9(20-13)7-12(16)17/h2-6,15H,7H2,1H3,(H,16,17).
What are the key properties of 2-[5-[(2-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[(2-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-[(2-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 28892210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).