3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid

C11H14FNO4S — CID 113415917

IUPAC3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
SMILESCC(NS(=O)(=O)c1ccccc1F)C(C)C(=O)O
InChIInChI=1S/C11H14FNO4S/c1-7(11(14)15)8(2)13-18(16,17)10-6-4-3-5-9(10)12/h3-8,13H,1-2H3,(H,14,15)
InChIKeyWGVRYCMGFPELNV-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.21
Rot. Bonds5

About 3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid

3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid (PubChem CID 113415917) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
PubChem CID113415917
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
SMILESCC(NS(=O)(=O)c1ccccc1F)C(C)C(=O)O
InChIInChI=1S/C11H14FNO4S/c1-7(11(14)15)8(2)13-18(16,17)10-6-4-3-5-9(10)12/h3-8,13H,1-2H3,(H,14,15)
InChIKeyWGVRYCMGFPELNV-UHFFFAOYSA-N
XLogP1.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid
CID 114795460
(2S)-2-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 40608062
N-[(1S,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide
CID 97326001
N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide
CID 97325999
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 7063256
N-but-3-yn-2-yl-2-fluorobenzenesulfonamide
CID 114416427
2-[(2-fluorophenyl)sulfonylamino]butanedioic acid
CID 71628755
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 24539850
2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350026
4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540391
2-fluoro-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzenesulfonamide
CID 18108558

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid?
The IUPAC name of 3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid (CID 113415917) is 3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid?
The canonical SMILES for 3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid is CC(NS(=O)(=O)c1ccccc1F)C(C)C(=O)O.
What is the InChIKey of 3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid?
The InChIKey is WGVRYCMGFPELNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c1-7(11(14)15)8(2)13-18(16,17)10-6-4-3-5-9(10)12/h3-8,13H,1-2H3,(H,14,15).
What are the key properties of 3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid?
3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid has a molecular weight of 275.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid is sourced from PubChem (CID 113415917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).