4-fluoro-3-(2-thiophen-2-ylethylsulfamoyl)benzoate

C13H11FNO4S2- — CID 9160250

IUPAC4-fluoro-3-(2-thiophen-2-ylethylsulfamoyl)benzoate
SMILESO=C([O-])c1ccc(F)c(S(=O)(=O)NCCc2cccs2)c1
InChIInChI=1S/C13H12FNO4S2/c14-11-4-3-9(13(16)17)8-12(11)21(18,19)15-6-5-10-2-1-7-20-10/h1-4,7-8,15H,5-6H2,(H,16,17)/p-1
InChIKeyVFOOWTSBMFAOMU-UHFFFAOYSA-M
MW328.37 g/mol
LogP0.77
Rot. Bonds6

About 4-fluoro-3-(2-thiophen-2-ylethylsulfamoyl)benzoate

4-fluoro-3-(2-thiophen-2-ylethylsulfamoyl)benzoate (PubChem CID 9160250) has the molecular formula C13H11FNO4S2- and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-fluoro-3-(2-thiophen-2-ylethylsulfamoyl)benzoate.

Molecular Properties

Compound Name4-fluoro-3-(2-thiophen-2-ylethylsulfamoyl)benzoate
PubChem CID9160250
Molecular FormulaC13H11FNO4S2-
Molecular Weight328.37 g/mol
Exact Mass328.01
IUPAC Name4-fluoro-3-(2-thiophen-2-ylethylsulfamoyl)benzoate
SMILESO=C([O-])c1ccc(F)c(S(=O)(=O)NCCc2cccs2)c1
InChIInChI=1S/C13H12FNO4S2/c14-11-4-3-9(13(16)17)8-12(11)21(18,19)15-6-5-10-2-1-7-20-10/h1-4,7-8,15H,5-6H2,(H,16,17)/p-1
InChIKeyVFOOWTSBMFAOMU-UHFFFAOYSA-M
XLogP0.77
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 40753479
3-[2-(4-ethylphenyl)ethylsulfamoyl]-4-fluorobenzoate
CID 9160269
4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate
CID 9160422
4-fluoro-3-[2-(2-methoxyphenyl)ethylsulfamoyl]benzoate
CID 9160272
4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid
CID 3490945
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55595735
4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid
CID 63242172
5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62803418
4-(2-thiophen-2-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 61072796
2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43257668
2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 62144010
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55956808

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(2-thiophen-2-ylethylsulfamoyl)benzoate?
The IUPAC name of 4-fluoro-3-(2-thiophen-2-ylethylsulfamoyl)benzoate (CID 9160250) is 4-fluoro-3-(2-thiophen-2-ylethylsulfamoyl)benzoate.
What is the SMILES notation for 4-fluoro-3-(2-thiophen-2-ylethylsulfamoyl)benzoate?
The canonical SMILES for 4-fluoro-3-(2-thiophen-2-ylethylsulfamoyl)benzoate is O=C([O-])c1ccc(F)c(S(=O)(=O)NCCc2cccs2)c1.
What is the InChIKey of 4-fluoro-3-(2-thiophen-2-ylethylsulfamoyl)benzoate?
The InChIKey is VFOOWTSBMFAOMU-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12FNO4S2/c14-11-4-3-9(13(16)17)8-12(11)21(18,19)15-6-5-10-2-1-7-20-10/h1-4,7-8,15H,5-6H2,(H,16,17)/p-1.
What are the key properties of 4-fluoro-3-(2-thiophen-2-ylethylsulfamoyl)benzoate?
4-fluoro-3-(2-thiophen-2-ylethylsulfamoyl)benzoate has a molecular weight of 328.37 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(2-thiophen-2-ylethylsulfamoyl)benzoate is sourced from PubChem (CID 9160250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).