5-chlorosulfonyl-2-hydroxybenzoic acid

C7H5ClO5S — CID 2777240

IUPAC5-chlorosulfonyl-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Cl)ccc1O
InChIInChI=1S/C7H5ClO5S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKeySJXHSFSHNKFRLN-UHFFFAOYSA-N
MW236.63 g/mol
LogP1.02
Rot. Bonds2

About 5-chlorosulfonyl-2-hydroxybenzoic acid

5-chlorosulfonyl-2-hydroxybenzoic acid (PubChem CID 2777240) has the molecular formula C7H5ClO5S and a molecular weight of 236.63 g/mol. Its IUPAC name is 5-chlorosulfonyl-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-chlorosulfonyl-2-hydroxybenzoic acid
PubChem CID2777240
Molecular FormulaC7H5ClO5S
Molecular Weight236.63 g/mol
Exact Mass235.95
IUPAC Name5-chlorosulfonyl-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Cl)ccc1O
InChIInChI=1S/C7H5ClO5S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKeySJXHSFSHNKFRLN-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

Analyze 5-chlorosulfonyl-2-hydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chlorosulfonyl-2-hydroxybenzoic acid?
The IUPAC name of 5-chlorosulfonyl-2-hydroxybenzoic acid (CID 2777240) is 5-chlorosulfonyl-2-hydroxybenzoic acid.
What is the SMILES notation for 5-chlorosulfonyl-2-hydroxybenzoic acid?
The canonical SMILES for 5-chlorosulfonyl-2-hydroxybenzoic acid is O=C(O)c1cc(S(=O)(=O)Cl)ccc1O.
What is the InChIKey of 5-chlorosulfonyl-2-hydroxybenzoic acid?
The InChIKey is SJXHSFSHNKFRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO5S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11).
What are the key properties of 5-chlorosulfonyl-2-hydroxybenzoic acid?
5-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 5-chlorosulfonyl-2-hydroxybenzoic acid is sourced from PubChem (CID 2777240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).