2-fluoro-4-methylsulfanylbenzenesulfonyl chloride

C7H6ClFO2S2 — CID 84702221

IUPAC2-fluoro-4-methylsulfanylbenzenesulfonyl chloride
SMILESCSc1ccc(S(=O)(=O)Cl)c(F)c1
InChIInChI=1S/C7H6ClFO2S2/c1-12-5-2-3-7(6(9)4-5)13(8,10)11/h2-4H,1H3
InChIKeyJVFPEPSUKIFDHL-UHFFFAOYSA-N
MW240.71 g/mol
LogP2.48
Rot. Bonds2

About 2-fluoro-4-methylsulfanylbenzenesulfonyl chloride

2-fluoro-4-methylsulfanylbenzenesulfonyl chloride (PubChem CID 84702221) has the molecular formula C7H6ClFO2S2 and a molecular weight of 240.71 g/mol. Its IUPAC name is 2-fluoro-4-methylsulfanylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-4-methylsulfanylbenzenesulfonyl chloride
PubChem CID84702221
Molecular FormulaC7H6ClFO2S2
Molecular Weight240.71 g/mol
Exact Mass239.95
IUPAC Name2-fluoro-4-methylsulfanylbenzenesulfonyl chloride
SMILESCSc1ccc(S(=O)(=O)Cl)c(F)c1
InChIInChI=1S/C7H6ClFO2S2/c1-12-5-2-3-7(6(9)4-5)13(8,10)11/h2-4H,1H3
InChIKeyJVFPEPSUKIFDHL-UHFFFAOYSA-N
XLogP2.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-2-fluorobenzenesulfonyl chloride
CID 139490972
2-fluoro-4-phenylbenzenesulfonyl chloride
CID 46314814
2-fluoro-1-methyl-4-methylsulfanylbenzene
CID 53414492
2-fluoro-1-(2-fluoro-4-methylsulfanylphenyl)sulfanyl-4-methylsulfanylbenzene
CID 139623422
2-ethyl-4-fluorobenzenesulfonyl chloride
CID 87439180
2-ethylsulfanyl-4-fluorobenzenesulfonyl chloride
CID 23448671
2-fluoro-4-(1-morpholin-4-ylethyl)benzenesulfonyl chloride
CID 83271907
2-(2-fluoro-4-methylsulfanylphenyl)-2-oxoacetic acid
CID 117305144
2,4-difluoro-3-methoxybenzenesulfonyl chloride
CID 84703410
2-bromo-1-fluoro-4-methylsulfanylbenzene
CID 83409864
2,7-bis(methylsulfanyl)fluoren-9-one
CID 175439265
2,3,4,5-tetrafluorobenzenesulfonyl chloride
CID 22326053

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylsulfanylbenzenesulfonyl chloride?
The IUPAC name of 2-fluoro-4-methylsulfanylbenzenesulfonyl chloride (CID 84702221) is 2-fluoro-4-methylsulfanylbenzenesulfonyl chloride.
What is the SMILES notation for 2-fluoro-4-methylsulfanylbenzenesulfonyl chloride?
The canonical SMILES for 2-fluoro-4-methylsulfanylbenzenesulfonyl chloride is CSc1ccc(S(=O)(=O)Cl)c(F)c1.
What is the InChIKey of 2-fluoro-4-methylsulfanylbenzenesulfonyl chloride?
The InChIKey is JVFPEPSUKIFDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO2S2/c1-12-5-2-3-7(6(9)4-5)13(8,10)11/h2-4H,1H3.
What are the key properties of 2-fluoro-4-methylsulfanylbenzenesulfonyl chloride?
2-fluoro-4-methylsulfanylbenzenesulfonyl chloride has a molecular weight of 240.71 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylsulfanylbenzenesulfonyl chloride is sourced from PubChem (CID 84702221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).