4-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid

C13H12FNO4S2 — CID 61072350

IUPAC4-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1csc(C(=O)O)c1)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO4S2/c1-8(9-2-4-10(14)5-3-9)15-21(18,19)11-6-12(13(16)17)20-7-11/h2-8,15H,1H3,(H,16,17)
InChIKeyBPNZPGXNHUTTSA-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.62
Rot. Bonds5

About 4-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid

4-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61072350) has the molecular formula C13H12FNO4S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID61072350
Molecular FormulaC13H12FNO4S2
Molecular Weight329.37 g/mol
Exact Mass329.02
IUPAC Name4-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1csc(C(=O)O)c1)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO4S2/c1-8(9-2-4-10(14)5-3-9)15-21(18,19)11-6-12(13(16)17)20-7-11/h2-8,15H,1H3,(H,16,17)
InChIKeyBPNZPGXNHUTTSA-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

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
Methyl 3-({[4-(aminosulfonyl)benzyl]amino}sulfonyl)-2-thiophenecarboxylate
CID 2738730
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
3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 17545389
3-(4-Fluorophenyl)-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 25041278
Methyl 3-{[2-(4-fluorophenyl)ethyl]sulfamoyl}thiophene-2-carboxylate
CID 16766382
3-[2-(4-Fluorophenyl)ethyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 21098600

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid (CID 61072350) is 4-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid is CC(NS(=O)(=O)c1csc(C(=O)O)c1)c1ccc(F)cc1.
What is the InChIKey of 4-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is BPNZPGXNHUTTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4S2/c1-8(9-2-4-10(14)5-3-9)15-21(18,19)11-6-12(13(16)17)20-7-11/h2-8,15H,1H3,(H,16,17).
What are the key properties of 4-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
4-[1-(4-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 4-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61072350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).