5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid

C12H16FNO4S — CID 82683197

IUPAC5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H16FNO4S/c1-9(6-7-12(15)16)8-14-19(17,18)11-5-3-2-4-10(11)13/h2-5,9,14H,6-8H2,1H3,(H,15,16)
InChIKeyAFXJXGRQUMYQBQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.60
Rot. Bonds7

About 5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid

5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid (PubChem CID 82683197) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
PubChem CID82683197
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC Name5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H16FNO4S/c1-9(6-7-12(15)16)8-14-19(17,18)11-5-3-2-4-10(11)13/h2-5,9,14H,6-8H2,1H3,(H,15,16)
InChIKeyAFXJXGRQUMYQBQ-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic 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-[(3,4-difluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683500
N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 64570507
4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540391
5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82683979
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82017296
2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide
CID 115763664
5-[(3-bromophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683808
5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82683810
3-[(2-fluorophenyl)sulfonyl-propan-2-ylamino]propanoic acid
CID 60829140
5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683360
3-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 81067049
N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide
CID 119499471

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of 5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid (CID 82683197) is 5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid is CC(CCC(=O)O)CNS(=O)(=O)c1ccccc1F.
What is the InChIKey of 5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid?
The InChIKey is AFXJXGRQUMYQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S/c1-9(6-7-12(15)16)8-14-19(17,18)11-5-3-2-4-10(11)13/h2-5,9,14H,6-8H2,1H3,(H,15,16).
What are the key properties of 5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid?
5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid has a molecular weight of 289.33 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 82683197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).