2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid

C13H18FNO4S — CID 43619191

IUPAC2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NS(=O)(=O)c1cc(C)ccc1F)C(=O)O
InChIInChI=1S/C13H18FNO4S/c1-4-7-13(3,12(16)17)15-20(18,19)11-8-9(2)5-6-10(11)14/h5-6,8,15H,4,7H2,1-3H3,(H,16,17)
InChIKeyQFVNXCRVKOPCDJ-UHFFFAOYSA-N
MW303.35 g/mol
LogP2.06
Rot. Bonds6

About 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid

2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid (PubChem CID 43619191) has the molecular formula C13H18FNO4S and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid
PubChem CID43619191
Molecular FormulaC13H18FNO4S
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NS(=O)(=O)c1cc(C)ccc1F)C(=O)O
InChIInChI=1S/C13H18FNO4S/c1-4-7-13(3,12(16)17)15-20(18,19)11-8-9(2)5-6-10(11)14/h5-6,8,15H,4,7H2,1-3H3,(H,16,17)
InChIKeyQFVNXCRVKOPCDJ-UHFFFAOYSA-N
XLogP2.06
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619283
2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid
CID 43619230
2-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-methylbenzenesulfonamide
CID 107866862
2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid
CID 60824677
2-[(2-chloro-4-methylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 79793090
2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619247
2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619270
2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 62812916
methyl 2-[(2,6-difluorophenyl)sulfonylamino]-2-methylpentanoate
CID 43431089
2-[[(2-fluoro-5-methylphenyl)sulfonylamino]methyl]butanoic acid
CID 65222888
2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid
CID 55163046
3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66168147

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid (CID 43619191) is 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid is CCCC(C)(NS(=O)(=O)c1cc(C)ccc1F)C(=O)O.
What is the InChIKey of 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid?
The InChIKey is QFVNXCRVKOPCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4S/c1-4-7-13(3,12(16)17)15-20(18,19)11-8-9(2)5-6-10(11)14/h5-6,8,15H,4,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid?
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid has a molecular weight of 303.35 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid is sourced from PubChem (CID 43619191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).