4-[2-(3-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid

C13H12FNO4S2 — CID 61072508

IUPAC4-[2-(3-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCc2cccc(F)c2)cs1
InChIInChI=1S/C13H12FNO4S2/c14-10-3-1-2-9(6-10)4-5-15-21(18,19)11-7-12(13(16)17)20-8-11/h1-3,6-8,15H,4-5H2,(H,16,17)
InChIKeyVMYFOCNTIYCVQJ-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.11
Rot. Bonds6

About 4-[2-(3-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid

4-[2-(3-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61072508) has the molecular formula C13H12FNO4S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID61072508
Molecular FormulaC13H12FNO4S2
Molecular Weight329.37 g/mol
Exact Mass329.02
IUPAC Name4-[2-(3-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCc2cccc(F)c2)cs1
InChIInChI=1S/C13H12FNO4S2/c14-10-3-1-2-9(6-10)4-5-15-21(18,19)11-7-12(13(16)17)20-8-11/h1-3,6-8,15H,4-5H2,(H,16,17)
InChIKeyVMYFOCNTIYCVQJ-UHFFFAOYSA-N
XLogP2.11
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-Carboxybenzyl)sulfamoyl]thiophene-2-Carboxylic Acid
CID 73659121
3-{[2-(4-Carboxyphenyl)ethyl]sulfamoyl}thiophene-2-Carboxylic Acid
CID 73659122
3-{[3-(4-Carboxyphenyl)propyl]sulfamoyl}thiophene-2-Carboxylic Acid
CID 73659123
3-[(Thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 647810
3-[(4-Methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 43090749
3-[(4-Chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 43217909
3-acetyl-N-(2-hydroxy-2-(thiophen-2-yl)propyl)benzenesulfonamide
CID 71782472
methyl 4-(N-(2-hydroxy-2-(thiophen-2-yl)propyl)sulfamoyl)benzoate
CID 71796921
3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 17545389
4-[(3R)-3-phenylpyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 164641281
Methyl 3-{[2-(4-fluorophenyl)ethyl]sulfamoyl}thiophene-2-carboxylate
CID 16766382
3-[[2-(4-Fluorophenyl)-2-hydroxyethyl]-methylsulfamoyl]thiophene-2-carboxylic acid
CID 21098590

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[2-(3-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid (CID 61072508) is 4-[2-(3-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-(3-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-(3-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCCc2cccc(F)c2)cs1.
What is the InChIKey of 4-[2-(3-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is VMYFOCNTIYCVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4S2/c14-10-3-1-2-9(6-10)4-5-15-21(18,19)11-7-12(13(16)17)20-8-11/h1-3,6-8,15H,4-5H2,(H,16,17).
What are the key properties of 4-[2-(3-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
4-[2-(3-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 329.37 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61072508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).