3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid

C10H12FNO5S — CID 66168147

IUPAC3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid
SMILESCc1ccc(F)c(S(=O)(=O)NCC(O)C(=O)O)c1
InChIInChI=1S/C10H12FNO5S/c1-6-2-3-7(11)9(4-6)18(16,17)12-5-8(13)10(14)15/h2-4,8,12-13H,5H2,1H3,(H,14,15)
InChIKeyDBNPUJGFILCWQH-UHFFFAOYSA-N
MW277.27 g/mol
LogP-0.14
Rot. Bonds5

About 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid

3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid (PubChem CID 66168147) has the molecular formula C10H12FNO5S and a molecular weight of 277.27 g/mol. Its IUPAC name is 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid
PubChem CID66168147
Molecular FormulaC10H12FNO5S
Molecular Weight277.27 g/mol
Exact Mass277.04
IUPAC Name3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid
SMILESCc1ccc(F)c(S(=O)(=O)NCC(O)C(=O)O)c1
InChIInChI=1S/C10H12FNO5S/c1-6-2-3-7(11)9(4-6)18(16,17)12-5-8(13)10(14)15/h2-4,8,12-13H,5H2,1H3,(H,14,15)
InChIKeyDBNPUJGFILCWQH-UHFFFAOYSA-N
XLogP-0.14
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878696
2-[[(2-fluoro-5-methylphenyl)sulfonylamino]methyl]butanoic acid
CID 65222888
(2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935898
(2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935815
3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66165035
3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 79027133
3-[(2,5-difluorophenyl)sulfonylamino]-2-hydroxypropanamide
CID 107258385
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-fluorobenzoic acid
CID 106168366
3-[(5-acetamido-2-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66165436
2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)-5-methylbenzenesulfonamide
CID 115362967
1-[[(2-fluoro-5-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445428
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid (CID 66168147) is 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid is Cc1ccc(F)c(S(=O)(=O)NCC(O)C(=O)O)c1.
What is the InChIKey of 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid?
The InChIKey is DBNPUJGFILCWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO5S/c1-6-2-3-7(11)9(4-6)18(16,17)12-5-8(13)10(14)15/h2-4,8,12-13H,5H2,1H3,(H,14,15).
What are the key properties of 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid?
3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid has a molecular weight of 277.27 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66168147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).