2-(4-chlorosulfonylphenyl)acetic acid

C8H7ClO4S — CID 2735819

IUPAC2-(4-chlorosulfonylphenyl)acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C8H7ClO4S/c9-14(12,13)7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyFQSSPHAFXLRJBR-UHFFFAOYSA-N
MW234.66 g/mol
LogP1.24
Rot. Bonds3

About 2-(4-chlorosulfonylphenyl)acetic acid

2-(4-chlorosulfonylphenyl)acetic acid (PubChem CID 2735819) has the molecular formula C8H7ClO4S and a molecular weight of 234.66 g/mol. Its IUPAC name is 2-(4-chlorosulfonylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-chlorosulfonylphenyl)acetic acid
PubChem CID2735819
Molecular FormulaC8H7ClO4S
Molecular Weight234.66 g/mol
Exact Mass233.98
IUPAC Name2-(4-chlorosulfonylphenyl)acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C8H7ClO4S/c9-14(12,13)7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyFQSSPHAFXLRJBR-UHFFFAOYSA-N
XLogP1.24
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.66
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorosulfonylphenyl)acetic acid?
The IUPAC name of 2-(4-chlorosulfonylphenyl)acetic acid (CID 2735819) is 2-(4-chlorosulfonylphenyl)acetic acid.
What is the SMILES notation for 2-(4-chlorosulfonylphenyl)acetic acid?
The canonical SMILES for 2-(4-chlorosulfonylphenyl)acetic acid is O=C(O)Cc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 2-(4-chlorosulfonylphenyl)acetic acid?
The InChIKey is FQSSPHAFXLRJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO4S/c9-14(12,13)7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11).
What are the key properties of 2-(4-chlorosulfonylphenyl)acetic acid?
2-(4-chlorosulfonylphenyl)acetic acid has a molecular weight of 234.66 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorosulfonylphenyl)acetic acid is sourced from PubChem (CID 2735819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).