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

C12H16FNO4S — CID 43631259

IUPAC2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1cc(F)ccc1C)C(=O)O
InChIInChI=1S/C12H16FNO4S/c1-3-4-10(12(15)16)14-19(17,18)11-7-9(13)6-5-8(11)2/h5-7,10,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyDSANENVWOOHMQK-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.67
Rot. Bonds6

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

2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid (PubChem CID 43631259) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid
PubChem CID43631259
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC Name2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1cc(F)ccc1C)C(=O)O
InChIInChI=1S/C12H16FNO4S/c1-3-4-10(12(15)16)14-19(17,18)11-7-9(13)6-5-8(11)2/h5-7,10,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyDSANENVWOOHMQK-UHFFFAOYSA-N
XLogP1.67
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoro-2-methylphenyl)sulfonylamino]-4-methoxybutanoic acid
CID 62480757
2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid
CID 104739176
(2S)-4-amino-2-[(5-fluoro-2-methylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 61141616
(2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid
CID 93331448
(2S)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]hexanoic acid
CID 104934769
2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid
CID 122101407
(2R)-2-[(5-cyano-2-methylphenyl)sulfonylamino]pentanoic acid
CID 104935465
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
(2S)-2-[(5-fluoro-2-methylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173809
(2S)-2-[(5-bromo-2-methylphenyl)sulfonylamino]hexanoic acid
CID 104934720
(2R)-2-[(5-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79010727
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid
CID 93252503

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid?
The IUPAC name of 2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid (CID 43631259) is 2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for 2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid is CCCC(NS(=O)(=O)c1cc(F)ccc1C)C(=O)O.
What is the InChIKey of 2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid?
The InChIKey is DSANENVWOOHMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S/c1-3-4-10(12(15)16)14-19(17,18)11-7-9(13)6-5-8(11)2/h5-7,10,14H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid?
2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid has a molecular weight of 289.33 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 43631259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).