3-(4-fluorophenyl)-5-methylbenzenesulfonyl chloride

C13H10ClFO2S — CID 82307552

IUPAC3-(4-fluorophenyl)-5-methylbenzenesulfonyl chloride
SMILESCc1cc(-c2ccc(F)cc2)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H10ClFO2S/c1-9-6-11(8-13(7-9)18(14,16)17)10-2-4-12(15)5-3-10/h2-8H,1H3
InChIKeyPPAKXHLNHMXOSQ-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.73
Rot. Bonds2

About 3-(4-fluorophenyl)-5-methylbenzenesulfonyl chloride

3-(4-fluorophenyl)-5-methylbenzenesulfonyl chloride (PubChem CID 82307552) has the molecular formula C13H10ClFO2S and a molecular weight of 284.74 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methylbenzenesulfonyl chloride
PubChem CID82307552
Molecular FormulaC13H10ClFO2S
Molecular Weight284.74 g/mol
Exact Mass284.01
IUPAC Name3-(4-fluorophenyl)-5-methylbenzenesulfonyl chloride
SMILESCc1cc(-c2ccc(F)cc2)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H10ClFO2S/c1-9-6-11(8-13(7-9)18(14,16)17)10-2-4-12(15)5-3-10/h2-8H,1H3
InChIKeyPPAKXHLNHMXOSQ-UHFFFAOYSA-N
XLogP3.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluorophenyl)-5-methylbenzenesulfonyl chloride 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 3-(4-fluorophenyl)-5-methylbenzenesulfonyl chloride?
The IUPAC name of 3-(4-fluorophenyl)-5-methylbenzenesulfonyl chloride (CID 82307552) is 3-(4-fluorophenyl)-5-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-(4-fluorophenyl)-5-methylbenzenesulfonyl chloride is Cc1cc(-c2ccc(F)cc2)cc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methylbenzenesulfonyl chloride?
The InChIKey is PPAKXHLNHMXOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO2S/c1-9-6-11(8-13(7-9)18(14,16)17)10-2-4-12(15)5-3-10/h2-8H,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-methylbenzenesulfonyl chloride?
3-(4-fluorophenyl)-5-methylbenzenesulfonyl chloride has a molecular weight of 284.74 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methylbenzenesulfonyl chloride is sourced from PubChem (CID 82307552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).