4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid

C11H14FNO4S — CID 80540391

IUPAC4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
SMILESCC(CCNS(=O)(=O)c1ccccc1F)C(=O)O
InChIInChI=1S/C11H14FNO4S/c1-8(11(14)15)6-7-13-18(16,17)10-5-3-2-4-9(10)12/h2-5,8,13H,6-7H2,1H3,(H,14,15)
InChIKeyMZPUXRKIZFUISV-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.21
Rot. Bonds6

About 4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid

4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid (PubChem CID 80540391) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
PubChem CID80540391
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
SMILESCC(CCNS(=O)(=O)c1ccccc1F)C(=O)O
InChIInChI=1S/C11H14FNO4S/c1-8(11(14)15)6-7-13-18(16,17)10-5-3-2-4-9(10)12/h2-5,8,13H,6-7H2,1H3,(H,14,15)
InChIKeyMZPUXRKIZFUISV-UHFFFAOYSA-N
XLogP1.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

4-[(2-cyano-3-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540372
2-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537599
4-[(2-fluoro-5-nitrophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80537671
5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683197
N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide
CID 119499471
(2S)-2-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 40608062
N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119499470
N-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide
CID 106154282
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
4-[(2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540414
3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 113415917
N-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide
CID 119385406

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid?
The IUPAC name of 4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid (CID 80540391) is 4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid?
The canonical SMILES for 4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid is CC(CCNS(=O)(=O)c1ccccc1F)C(=O)O.
What is the InChIKey of 4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid?
The InChIKey is MZPUXRKIZFUISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c1-8(11(14)15)6-7-13-18(16,17)10-5-3-2-4-9(10)12/h2-5,8,13H,6-7H2,1H3,(H,14,15).
What are the key properties of 4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid?
4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid has a molecular weight of 275.30 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid is sourced from PubChem (CID 80540391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).