5-[1-(2-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid

C13H12FNO4S2 — CID 61027369

IUPAC5-[1-(2-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1ccc(C(=O)O)s1)c1ccccc1F
InChIInChI=1S/C13H12FNO4S2/c1-8(9-4-2-3-5-10(9)14)15-21(18,19)12-7-6-11(20-12)13(16)17/h2-8,15H,1H3,(H,16,17)
InChIKeyKHOROAZWCDVQMS-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.62
Rot. Bonds5

About 5-[1-(2-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid

5-[1-(2-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61027369) has the molecular formula C13H12FNO4S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID61027369
Molecular FormulaC13H12FNO4S2
Molecular Weight329.37 g/mol
Exact Mass329.02
IUPAC Name5-[1-(2-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1ccc(C(=O)O)s1)c1ccccc1F
InChIInChI=1S/C13H12FNO4S2/c1-8(9-4-2-3-5-10(9)14)15-21(18,19)12-7-6-11(20-12)13(16)17/h2-8,15H,1H3,(H,16,17)
InChIKeyKHOROAZWCDVQMS-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-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63867055
5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81368003
5-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81368965
5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81404136
5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 64604413
5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026479
5-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106156119
5-[(2-fluorophenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43474985
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 62057730
N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54934224
2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid
CID 43079020
5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81354446

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[1-(2-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid (CID 61027369) is 5-[1-(2-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[1-(2-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[1-(2-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid is CC(NS(=O)(=O)c1ccc(C(=O)O)s1)c1ccccc1F.
What is the InChIKey of 5-[1-(2-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is KHOROAZWCDVQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4S2/c1-8(9-4-2-3-5-10(9)14)15-21(18,19)12-7-6-11(20-12)13(16)17/h2-8,15H,1H3,(H,16,17).
What are the key properties of 5-[1-(2-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
5-[1-(2-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic 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 5-[1-(2-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61027369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).