3-(2-fluoro-4-sulfamoylphenyl)sulfanylbutanoic acid

C10H12FNO4S2 — CID 66115046

IUPAC3-(2-fluoro-4-sulfamoylphenyl)sulfanylbutanoic acid
SMILESCC(CC(=O)O)Sc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C10H12FNO4S2/c1-6(4-10(13)14)17-9-3-2-7(5-8(9)11)18(12,15)16/h2-3,5-6H,4H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyITNUXFMVEWOQAF-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.43
Rot. Bonds5

About 3-(2-fluoro-4-sulfamoylphenyl)sulfanylbutanoic acid

3-(2-fluoro-4-sulfamoylphenyl)sulfanylbutanoic acid (PubChem CID 66115046) has the molecular formula C10H12FNO4S2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-(2-fluoro-4-sulfamoylphenyl)sulfanylbutanoic acid.

Molecular Properties

Compound Name3-(2-fluoro-4-sulfamoylphenyl)sulfanylbutanoic acid
PubChem CID66115046
Molecular FormulaC10H12FNO4S2
Molecular Weight293.34 g/mol
Exact Mass293.02
IUPAC Name3-(2-fluoro-4-sulfamoylphenyl)sulfanylbutanoic acid
SMILESCC(CC(=O)O)Sc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C10H12FNO4S2/c1-6(4-10(13)14)17-9-3-2-7(5-8(9)11)18(12,15)16/h2-3,5-6H,4H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyITNUXFMVEWOQAF-UHFFFAOYSA-N
XLogP1.43
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-butan-2-ylsulfanyl-5-sulfamoylbenzoic acid
CID 43322728
3-(4-amino-2-bromophenyl)sulfanylbutanoic acid
CID 82840916
3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide
CID 70968674
3-(2-amino-4-methylphenyl)sulfanylbutanoic acid
CID 14264292
5-(2-fluoro-4-sulfamoylanilino)hexanoic acid
CID 82847003
4-(2-fluoro-4-sulfamoylphenyl)sulfanylpyridine-2-carboxylic acid
CID 79561859
N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide
CID 114217249
3-(2-acetyl-4-chlorophenyl)sulfanylbutanoic acid
CID 70989078
2-(2,4-difluorophenyl)sulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8633334
2-(2,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8633335
N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide
CID 63821086
3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide
CID 115576985

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-sulfamoylphenyl)sulfanylbutanoic acid?
The IUPAC name of 3-(2-fluoro-4-sulfamoylphenyl)sulfanylbutanoic acid (CID 66115046) is 3-(2-fluoro-4-sulfamoylphenyl)sulfanylbutanoic acid.
What is the SMILES notation for 3-(2-fluoro-4-sulfamoylphenyl)sulfanylbutanoic acid?
The canonical SMILES for 3-(2-fluoro-4-sulfamoylphenyl)sulfanylbutanoic acid is CC(CC(=O)O)Sc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 3-(2-fluoro-4-sulfamoylphenyl)sulfanylbutanoic acid?
The InChIKey is ITNUXFMVEWOQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S2/c1-6(4-10(13)14)17-9-3-2-7(5-8(9)11)18(12,15)16/h2-3,5-6H,4H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of 3-(2-fluoro-4-sulfamoylphenyl)sulfanylbutanoic acid?
3-(2-fluoro-4-sulfamoylphenyl)sulfanylbutanoic acid has a molecular weight of 293.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-sulfamoylphenyl)sulfanylbutanoic acid is sourced from PubChem (CID 66115046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).