4-chlorosulfonyl-2-hydroxybenzoic acid

C7H5ClO5S — CID 14668531

IUPAC4-chlorosulfonyl-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Cl)cc1O
InChIInChI=1S/C7H5ClO5S/c8-14(12,13)4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
InChIKeyJVXZKJYMVWASCR-UHFFFAOYSA-N
MW236.63 g/mol
LogP1.02
Rot. Bonds2

About 4-chlorosulfonyl-2-hydroxybenzoic acid

4-chlorosulfonyl-2-hydroxybenzoic acid (PubChem CID 14668531) has the molecular formula C7H5ClO5S and a molecular weight of 236.63 g/mol. Its IUPAC name is 4-chlorosulfonyl-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-chlorosulfonyl-2-hydroxybenzoic acid
PubChem CID14668531
Molecular FormulaC7H5ClO5S
Molecular Weight236.63 g/mol
Exact Mass235.95
IUPAC Name4-chlorosulfonyl-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Cl)cc1O
InChIInChI=1S/C7H5ClO5S/c8-14(12,13)4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
InChIKeyJVXZKJYMVWASCR-UHFFFAOYSA-N
XLogP1.02
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.63
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chlorosulfonyl-2-hydroxybenzoic acid?
The IUPAC name of 4-chlorosulfonyl-2-hydroxybenzoic acid (CID 14668531) is 4-chlorosulfonyl-2-hydroxybenzoic acid.
What is the SMILES notation for 4-chlorosulfonyl-2-hydroxybenzoic acid?
The canonical SMILES for 4-chlorosulfonyl-2-hydroxybenzoic acid is O=C(O)c1ccc(S(=O)(=O)Cl)cc1O.
What is the InChIKey of 4-chlorosulfonyl-2-hydroxybenzoic acid?
The InChIKey is JVXZKJYMVWASCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO5S/c8-14(12,13)4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11).
What are the key properties of 4-chlorosulfonyl-2-hydroxybenzoic acid?
4-chlorosulfonyl-2-hydroxybenzoic acid has a molecular weight of 236.63 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorosulfonyl-2-hydroxybenzoic acid is sourced from PubChem (CID 14668531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).