5-[(3-fluorophenyl)sulfonylamino]hexanoic acid

C12H16FNO4S — CID 82855096

IUPAC5-[(3-fluorophenyl)sulfonylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H16FNO4S/c1-9(4-2-7-12(15)16)14-19(17,18)11-6-3-5-10(13)8-11/h3,5-6,8-9,14H,2,4,7H2,1H3,(H,15,16)
InChIKeyVREMPKHQCMUGMS-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.75
Rot. Bonds7

About 5-[(3-fluorophenyl)sulfonylamino]hexanoic acid

5-[(3-fluorophenyl)sulfonylamino]hexanoic acid (PubChem CID 82855096) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name5-[(3-fluorophenyl)sulfonylamino]hexanoic acid
PubChem CID82855096
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC Name5-[(3-fluorophenyl)sulfonylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H16FNO4S/c1-9(4-2-7-12(15)16)14-19(17,18)11-6-3-5-10(13)8-11/h3,5-6,8-9,14H,2,4,7H2,1H3,(H,15,16)
InChIKeyVREMPKHQCMUGMS-UHFFFAOYSA-N
XLogP1.75
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(3-fluorophenyl)sulfonylamino]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

5-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 82854503
3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 40654245
5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid
CID 82845347
(2S)-2-[(3-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 30049594
5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid
CID 103298911
5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid
CID 82855023
5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid
CID 82846759
4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid
CID 104936319
3-(heptan-2-ylsulfamoyl)benzoic acid
CID 43398472
5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid
CID 82854872
3-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 62674645
N-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide
CID 97051720

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)sulfonylamino]hexanoic acid?
The IUPAC name of 5-[(3-fluorophenyl)sulfonylamino]hexanoic acid (CID 82855096) is 5-[(3-fluorophenyl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 5-[(3-fluorophenyl)sulfonylamino]hexanoic acid?
The canonical SMILES for 5-[(3-fluorophenyl)sulfonylamino]hexanoic acid is CC(CCCC(=O)O)NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 5-[(3-fluorophenyl)sulfonylamino]hexanoic acid?
The InChIKey is VREMPKHQCMUGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S/c1-9(4-2-7-12(15)16)14-19(17,18)11-6-3-5-10(13)8-11/h3,5-6,8-9,14H,2,4,7H2,1H3,(H,15,16).
What are the key properties of 5-[(3-fluorophenyl)sulfonylamino]hexanoic acid?
5-[(3-fluorophenyl)sulfonylamino]hexanoic acid has a molecular weight of 289.33 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 82855096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).