5-chlorosulfonyl-2-fluorobenzoic acid

C7H4ClFO4S — CID 608984

IUPAC5-chlorosulfonyl-2-fluorobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Cl)ccc1F
InChIInChI=1S/C7H4ClFO4S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKeyCISMZCVQNVNWJW-UHFFFAOYSA-N
MW238.62 g/mol
LogP1.45
Rot. Bonds2

About 5-chlorosulfonyl-2-fluorobenzoic acid

5-chlorosulfonyl-2-fluorobenzoic acid (PubChem CID 608984) has the molecular formula C7H4ClFO4S and a molecular weight of 238.62 g/mol. Its IUPAC name is 5-chlorosulfonyl-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-chlorosulfonyl-2-fluorobenzoic acid
PubChem CID608984
Molecular FormulaC7H4ClFO4S
Molecular Weight238.62 g/mol
Exact Mass237.95
IUPAC Name5-chlorosulfonyl-2-fluorobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Cl)ccc1F
InChIInChI=1S/C7H4ClFO4S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKeyCISMZCVQNVNWJW-UHFFFAOYSA-N
XLogP1.45
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.62
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chlorosulfonyl-2-fluorobenzoic 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-fluorobenzoic acid?
The IUPAC name of 5-chlorosulfonyl-2-fluorobenzoic acid (CID 608984) is 5-chlorosulfonyl-2-fluorobenzoic acid.
What is the SMILES notation for 5-chlorosulfonyl-2-fluorobenzoic acid?
The canonical SMILES for 5-chlorosulfonyl-2-fluorobenzoic acid is O=C(O)c1cc(S(=O)(=O)Cl)ccc1F.
What is the InChIKey of 5-chlorosulfonyl-2-fluorobenzoic acid?
The InChIKey is CISMZCVQNVNWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFO4S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11).
What are the key properties of 5-chlorosulfonyl-2-fluorobenzoic acid?
5-chlorosulfonyl-2-fluorobenzoic acid has a molecular weight of 238.62 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorosulfonyl-2-fluorobenzoic acid is sourced from PubChem (CID 608984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).