5-(4-fluorophenyl)-2-methylbenzenesulfonyl chloride

C13H10ClFO2S — CID 82307551

IUPAC5-(4-fluorophenyl)-2-methylbenzenesulfonyl chloride
SMILESCc1ccc(-c2ccc(F)cc2)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H10ClFO2S/c1-9-2-3-11(8-13(9)18(14,16)17)10-4-6-12(15)7-5-10/h2-8H,1H3
InChIKeyHUMJBMLDMNFJNG-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.73
Rot. Bonds2

About 5-(4-fluorophenyl)-2-methylbenzenesulfonyl chloride

5-(4-fluorophenyl)-2-methylbenzenesulfonyl chloride (PubChem CID 82307551) has the molecular formula C13H10ClFO2S and a molecular weight of 284.74 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methylbenzenesulfonyl chloride
PubChem CID82307551
Molecular FormulaC13H10ClFO2S
Molecular Weight284.74 g/mol
Exact Mass284.01
IUPAC Name5-(4-fluorophenyl)-2-methylbenzenesulfonyl chloride
SMILESCc1ccc(-c2ccc(F)cc2)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H10ClFO2S/c1-9-2-3-11(8-13(9)18(14,16)17)10-4-6-12(15)7-5-10/h2-8H,1H3
InChIKeyHUMJBMLDMNFJNG-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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methylbenzenesulfonyl chloride?
The IUPAC name of 5-(4-fluorophenyl)-2-methylbenzenesulfonyl chloride (CID 82307551) is 5-(4-fluorophenyl)-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 5-(4-fluorophenyl)-2-methylbenzenesulfonyl chloride is Cc1ccc(-c2ccc(F)cc2)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-(4-fluorophenyl)-2-methylbenzenesulfonyl chloride?
The InChIKey is HUMJBMLDMNFJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO2S/c1-9-2-3-11(8-13(9)18(14,16)17)10-4-6-12(15)7-5-10/h2-8H,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-methylbenzenesulfonyl chloride?
5-(4-fluorophenyl)-2-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 5-(4-fluorophenyl)-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 82307551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).