2-ethenylsulfonyloxybenzoic acid

C9H8O5S — CID 90205575

IUPAC2-ethenylsulfonyloxybenzoic acid
SMILESC=CS(=O)(=O)Oc1ccccc1C(=O)O
InChIInChI=1S/C9H8O5S/c1-2-15(12,13)14-8-6-4-3-5-7(8)9(10)11/h2-6H,1H2,(H,10,11)
InChIKeyGRTJWPBWSAXDPJ-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.24
Rot. Bonds4

About 2-ethenylsulfonyloxybenzoic acid

2-ethenylsulfonyloxybenzoic acid (PubChem CID 90205575) has the molecular formula C9H8O5S and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-ethenylsulfonyloxybenzoic acid.

Molecular Properties

Compound Name2-ethenylsulfonyloxybenzoic acid
PubChem CID90205575
Molecular FormulaC9H8O5S
Molecular Weight228.22 g/mol
Exact Mass228.01
IUPAC Name2-ethenylsulfonyloxybenzoic acid
SMILESC=CS(=O)(=O)Oc1ccccc1C(=O)O
InChIInChI=1S/C9H8O5S/c1-2-15(12,13)14-8-6-4-3-5-7(8)9(10)11/h2-6H,1H2,(H,10,11)
InChIKeyGRTJWPBWSAXDPJ-UHFFFAOYSA-N
XLogP1.24
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-sulfooxybenzoic acid;sulfuric acid
CID 68615389
formic acid;2-sulfooxybenzoic acid
CID 175322032
2-fluorosulfonyloxybenzoic acid
CID 130224552
sodium;hydride;phenyl ethenesulfonate
CID 174175165
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
CID 70191473
CID 70191473
benzenesulfonic acid;phthalic acid
CID 175224750
2-(1-prop-2-enoyloxyethoxy)benzoic acid
CID 18934237
phthalic acid;prop-2-eneperoxoic acid
CID 159200094
2-methanehydrazonoyloxybenzoic acid
CID 70116086
lithium;2-sulfobenzoic acid;chloride
CID 87872456

Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonyloxybenzoic acid?
The IUPAC name of 2-ethenylsulfonyloxybenzoic acid (CID 90205575) is 2-ethenylsulfonyloxybenzoic acid.
What is the SMILES notation for 2-ethenylsulfonyloxybenzoic acid?
The canonical SMILES for 2-ethenylsulfonyloxybenzoic acid is C=CS(=O)(=O)Oc1ccccc1C(=O)O.
What is the InChIKey of 2-ethenylsulfonyloxybenzoic acid?
The InChIKey is GRTJWPBWSAXDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O5S/c1-2-15(12,13)14-8-6-4-3-5-7(8)9(10)11/h2-6H,1H2,(H,10,11).
What are the key properties of 2-ethenylsulfonyloxybenzoic acid?
2-ethenylsulfonyloxybenzoic acid has a molecular weight of 228.22 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonyloxybenzoic acid is sourced from PubChem (CID 90205575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).