5-fluoro-2,3-dimethylbenzenesulfonyl chloride

C8H8ClFO2S — CID 130840588

IUPAC5-fluoro-2,3-dimethylbenzenesulfonyl chloride
SMILESCc1cc(F)cc(S(=O)(=O)Cl)c1C
InChIInChI=1S/C8H8ClFO2S/c1-5-3-7(10)4-8(6(5)2)13(9,11)12/h3-4H,1-2H3
InChIKeyCBWYEHIUODMLHP-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.37
Rot. Bonds1

About 5-fluoro-2,3-dimethylbenzenesulfonyl chloride

5-fluoro-2,3-dimethylbenzenesulfonyl chloride (PubChem CID 130840588) has the molecular formula C8H8ClFO2S and a molecular weight of 222.67 g/mol. Its IUPAC name is 5-fluoro-2,3-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-2,3-dimethylbenzenesulfonyl chloride
PubChem CID130840588
Molecular FormulaC8H8ClFO2S
Molecular Weight222.67 g/mol
Exact Mass221.99
IUPAC Name5-fluoro-2,3-dimethylbenzenesulfonyl chloride
SMILESCc1cc(F)cc(S(=O)(=O)Cl)c1C
InChIInChI=1S/C8H8ClFO2S/c1-5-3-7(10)4-8(6(5)2)13(9,11)12/h3-4H,1-2H3
InChIKeyCBWYEHIUODMLHP-UHFFFAOYSA-N
XLogP2.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3-dimethylbenzenesulfonyl chloride?
The IUPAC name of 5-fluoro-2,3-dimethylbenzenesulfonyl chloride (CID 130840588) is 5-fluoro-2,3-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 5-fluoro-2,3-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 5-fluoro-2,3-dimethylbenzenesulfonyl chloride is Cc1cc(F)cc(S(=O)(=O)Cl)c1C.
What is the InChIKey of 5-fluoro-2,3-dimethylbenzenesulfonyl chloride?
The InChIKey is CBWYEHIUODMLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO2S/c1-5-3-7(10)4-8(6(5)2)13(9,11)12/h3-4H,1-2H3.
What are the key properties of 5-fluoro-2,3-dimethylbenzenesulfonyl chloride?
5-fluoro-2,3-dimethylbenzenesulfonyl chloride has a molecular weight of 222.67 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 130840588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).