5-(2-fluoro-4-sulfamoylanilino)hexanoic acid

C12H17FN2O4S — CID 82847003

IUPAC5-(2-fluoro-4-sulfamoylanilino)hexanoic acid
SMILESCC(CCCC(=O)O)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C12H17FN2O4S/c1-8(3-2-4-12(16)17)15-11-6-5-9(7-10(11)13)20(14,18)19/h5-8,15H,2-4H2,1H3,(H,16,17)(H2,14,18,19)
InChIKeyULUVTXKFJKWCIN-UHFFFAOYSA-N
MW304.34 g/mol
LogP1.53
Rot. Bonds7

About 5-(2-fluoro-4-sulfamoylanilino)hexanoic acid

5-(2-fluoro-4-sulfamoylanilino)hexanoic acid (PubChem CID 82847003) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is 5-(2-fluoro-4-sulfamoylanilino)hexanoic acid.

Molecular Properties

Compound Name5-(2-fluoro-4-sulfamoylanilino)hexanoic acid
PubChem CID82847003
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name5-(2-fluoro-4-sulfamoylanilino)hexanoic acid
SMILESCC(CCCC(=O)O)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C12H17FN2O4S/c1-8(3-2-4-12(16)17)15-11-6-5-9(7-10(11)13)20(14,18)19/h5-8,15H,2-4H2,1H3,(H,16,17)(H2,14,18,19)
InChIKeyULUVTXKFJKWCIN-UHFFFAOYSA-N
XLogP1.53
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(2-fluoro-4-sulfamoylanilino)hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide
CID 60713055
5-(2-carbamoyl-4-fluoroanilino)hexanoic acid
CID 82847895
2-[[(2S)-pentan-2-yl]amino]-5-sulfamoylbenzoic acid
CID 93293868
2-[[(2R)-pentan-2-yl]amino]-5-sulfamoylbenzoic acid
CID 93293867
N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide
CID 114217249
4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
CID 82898873
2-(butan-2-ylamino)-5-sulfamoylbenzoic acid
CID 43088437
N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
CID 104520209
4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide
CID 60713097
N-(2-fluoro-4-sulfamoylphenyl)octanamide
CID 43246665
3-bromo-4-(pentan-2-ylamino)benzenesulfonamide
CID 43745707
4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide
CID 64599794

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-sulfamoylanilino)hexanoic acid?
The IUPAC name of 5-(2-fluoro-4-sulfamoylanilino)hexanoic acid (CID 82847003) is 5-(2-fluoro-4-sulfamoylanilino)hexanoic acid.
What is the SMILES notation for 5-(2-fluoro-4-sulfamoylanilino)hexanoic acid?
The canonical SMILES for 5-(2-fluoro-4-sulfamoylanilino)hexanoic acid is CC(CCCC(=O)O)Nc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 5-(2-fluoro-4-sulfamoylanilino)hexanoic acid?
The InChIKey is ULUVTXKFJKWCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-8(3-2-4-12(16)17)15-11-6-5-9(7-10(11)13)20(14,18)19/h5-8,15H,2-4H2,1H3,(H,16,17)(H2,14,18,19).
What are the key properties of 5-(2-fluoro-4-sulfamoylanilino)hexanoic acid?
5-(2-fluoro-4-sulfamoylanilino)hexanoic acid has a molecular weight of 304.34 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-sulfamoylanilino)hexanoic acid is sourced from PubChem (CID 82847003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).