2-(2-methoxyphenyl)sulfonylacetic acid

C9H10O5S — CID 18416868

IUPAC2-(2-methoxyphenyl)sulfonylacetic acid
SMILESCOc1ccccc1S(=O)(=O)CC(=O)O
InChIInChI=1S/C9H10O5S/c1-14-7-4-2-3-5-8(7)15(12,13)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKeyCKHAJUZSULRQQC-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.55
Rot. Bonds4

About 2-(2-methoxyphenyl)sulfonylacetic acid

2-(2-methoxyphenyl)sulfonylacetic acid (PubChem CID 18416868) has the molecular formula C9H10O5S and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(2-methoxyphenyl)sulfonylacetic acid
PubChem CID18416868
Molecular FormulaC9H10O5S
Molecular Weight230.24 g/mol
Exact Mass230.02
IUPAC Name2-(2-methoxyphenyl)sulfonylacetic acid
SMILESCOc1ccccc1S(=O)(=O)CC(=O)O
InChIInChI=1S/C9H10O5S/c1-14-7-4-2-3-5-8(7)15(12,13)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKeyCKHAJUZSULRQQC-UHFFFAOYSA-N
XLogP0.55
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)sulfonylpropanoic acid
CID 61297989
2-(2-butoxyphenyl)sulfonylacetic acid
CID 151568979
1-ethylsulfonyl-2-methoxybenzene
CID 12920561
2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone
CID 64637156
1-cyclopentyl-2-(2-methoxyphenyl)sulfonylethanone
CID 104756180
2-(2-methoxyphenyl)sulfonyl-1-(5-methylthiophen-2-yl)ethanone
CID 64637346
3-(2-methoxyphenyl)sulfonylbutanoic acid
CID 61297993
(Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine;hydrochloride
CID 146317810
2-(2-ethylsulfonylphenoxy)acetic acid
CID 114335185
1-[(E)-but-2-enyl]sulfonyl-2-methoxybenzene
CID 13153174
5-[(2-methoxyphenyl)sulfonylmethyl]-3-methylfuran-2-carboxylic acid
CID 61298158
ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane
CID 125424647

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)sulfonylacetic acid?
The IUPAC name of 2-(2-methoxyphenyl)sulfonylacetic acid (CID 18416868) is 2-(2-methoxyphenyl)sulfonylacetic acid.
What is the SMILES notation for 2-(2-methoxyphenyl)sulfonylacetic acid?
The canonical SMILES for 2-(2-methoxyphenyl)sulfonylacetic acid is COc1ccccc1S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-(2-methoxyphenyl)sulfonylacetic acid?
The InChIKey is CKHAJUZSULRQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5S/c1-14-7-4-2-3-5-8(7)15(12,13)6-9(10)11/h2-5H,6H2,1H3,(H,10,11).
What are the key properties of 2-(2-methoxyphenyl)sulfonylacetic acid?
2-(2-methoxyphenyl)sulfonylacetic acid has a molecular weight of 230.24 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)sulfonylacetic acid is sourced from PubChem (CID 18416868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).