4-fluoro-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid

C13H12FNO4S2 — CID 43396637

IUPAC4-fluoro-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid
SMILESCN(Cc1ccsc1)S(=O)(=O)c1cc(C(=O)O)ccc1F
InChIInChI=1S/C13H12FNO4S2/c1-15(7-9-4-5-20-8-9)21(18,19)12-6-10(13(16)17)2-3-11(12)14/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyUMHWXOARJURNNP-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.41
Rot. Bonds5

About 4-fluoro-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid

4-fluoro-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid (PubChem CID 43396637) has the molecular formula C13H12FNO4S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-fluoro-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid
PubChem CID43396637
Molecular FormulaC13H12FNO4S2
Molecular Weight329.37 g/mol
Exact Mass329.02
IUPAC Name4-fluoro-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid
SMILESCN(Cc1ccsc1)S(=O)(=O)c1cc(C(=O)O)ccc1F
InChIInChI=1S/C13H12FNO4S2/c1-15(7-9-4-5-20-8-9)21(18,19)12-6-10(13(16)17)2-3-11(12)14/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyUMHWXOARJURNNP-UHFFFAOYSA-N
XLogP2.41
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid
CID 43528174
4-fluoro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 43238358
4-[[methyl(thiophen-3-ylmethyl)sulfamoyl]methyl]benzoic acid
CID 43528166
3-(dimethylsulfamoyl)-4-fluorobenzoic acid
CID 11118373
4-amino-2-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid
CID 102930944
2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 81241113
2-(aminomethyl)-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 102920365
3-fluoro-4-[furan-3-ylmethyl(methyl)sulfamoyl]benzoic acid
CID 79177687
4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528520
2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 9190925
4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43527986
3-(dimethylaminosulfamoyl)-4-fluorobenzoic acid
CID 83005612

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-fluoro-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid (CID 43396637) is 4-fluoro-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-fluoro-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid is CN(Cc1ccsc1)S(=O)(=O)c1cc(C(=O)O)ccc1F.
What is the InChIKey of 4-fluoro-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid?
The InChIKey is UMHWXOARJURNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4S2/c1-15(7-9-4-5-20-8-9)21(18,19)12-6-10(13(16)17)2-3-11(12)14/h2-6,8H,7H2,1H3,(H,16,17).
What are the key properties of 4-fluoro-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid?
4-fluoro-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid has a molecular weight of 329.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43396637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).