2-(2-chloro-6-methylsulfonylphenyl)-2-hydroxyacetic acid

C9H9ClO5S — CID 117416079

IUPAC2-(2-chloro-6-methylsulfonylphenyl)-2-hydroxyacetic acid
SMILESCS(=O)(=O)c1cccc(Cl)c1C(O)C(=O)O
InChIInChI=1S/C9H9ClO5S/c1-16(14,15)6-4-2-3-5(10)7(6)8(11)9(12)13/h2-4,8,11H,1H3,(H,12,13)
InChIKeyCSVPAUWYXAWAEL-UHFFFAOYSA-N
MW264.69 g/mol
LogP0.86
Rot. Bonds3

About 2-(2-chloro-6-methylsulfonylphenyl)-2-hydroxyacetic acid

2-(2-chloro-6-methylsulfonylphenyl)-2-hydroxyacetic acid (PubChem CID 117416079) has the molecular formula C9H9ClO5S and a molecular weight of 264.69 g/mol. Its IUPAC name is 2-(2-chloro-6-methylsulfonylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-chloro-6-methylsulfonylphenyl)-2-hydroxyacetic acid
PubChem CID117416079
Molecular FormulaC9H9ClO5S
Molecular Weight264.69 g/mol
Exact Mass263.99
IUPAC Name2-(2-chloro-6-methylsulfonylphenyl)-2-hydroxyacetic acid
SMILESCS(=O)(=O)c1cccc(Cl)c1C(O)C(=O)O
InChIInChI=1S/C9H9ClO5S/c1-16(14,15)6-4-2-3-5(10)7(6)8(11)9(12)13/h2-4,8,11H,1H3,(H,12,13)
InChIKeyCSVPAUWYXAWAEL-UHFFFAOYSA-N
XLogP0.86
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid
CID 117108587
2-[2-chloro-6-(2,4,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid
CID 134633815
2-(1-hydroxyethyl)-3-methylsulfonylphenol
CID 117308118
2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid
CID 65222532
(2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935868
1-(2-chloro-6-methylsulfonylphenyl)cyclopentane-1-carboxylic acid
CID 117487595
(2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 61137287
2-amino-1-(2-chloro-6-methylsulfonylphenyl)ethanone
CID 84706315
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009337
2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid
CID 117279696
3-(2-hydroxy-6-methylsulfonylphenyl)-2-methylpropanoic acid
CID 117399286

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylsulfonylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-chloro-6-methylsulfonylphenyl)-2-hydroxyacetic acid (CID 117416079) is 2-(2-chloro-6-methylsulfonylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-chloro-6-methylsulfonylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-chloro-6-methylsulfonylphenyl)-2-hydroxyacetic acid is CS(=O)(=O)c1cccc(Cl)c1C(O)C(=O)O.
What is the InChIKey of 2-(2-chloro-6-methylsulfonylphenyl)-2-hydroxyacetic acid?
The InChIKey is CSVPAUWYXAWAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO5S/c1-16(14,15)6-4-2-3-5(10)7(6)8(11)9(12)13/h2-4,8,11H,1H3,(H,12,13).
What are the key properties of 2-(2-chloro-6-methylsulfonylphenyl)-2-hydroxyacetic acid?
2-(2-chloro-6-methylsulfonylphenyl)-2-hydroxyacetic acid has a molecular weight of 264.69 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylsulfonylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117416079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).