2,6-bis(trifluoromethyl)benzenesulfonyl chloride

C8H3ClF6O2S — CID 18981651

IUPAC2,6-bis(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C8H3ClF6O2S/c9-18(16,17)6-4(7(10,11)12)2-1-3-5(6)8(13,14)15/h1-3H
InChIKeyRQMBZKGYBUIIKQ-UHFFFAOYSA-N
MW312.62 g/mol
LogP3.65
Rot. Bonds1

About 2,6-bis(trifluoromethyl)benzenesulfonyl chloride

2,6-bis(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 18981651) has the molecular formula C8H3ClF6O2S and a molecular weight of 312.62 g/mol. Its IUPAC name is 2,6-bis(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,6-bis(trifluoromethyl)benzenesulfonyl chloride
PubChem CID18981651
Molecular FormulaC8H3ClF6O2S
Molecular Weight312.62 g/mol
Exact Mass311.94
IUPAC Name2,6-bis(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C8H3ClF6O2S/c9-18(16,17)6-4(7(10,11)12)2-1-3-5(6)8(13,14)15/h1-3H
InChIKeyRQMBZKGYBUIIKQ-UHFFFAOYSA-N
XLogP3.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.62
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-bis(trifluoromethyl)benzenesulfonyl chloride
CID 19430547
1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride
CID 174535656
2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide
CID 23448648
2-amino-6-(trifluoromethyl)benzenesulfonic acid
CID 23216666
1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 71874703
2-ethyl-6-(trifluoromethyl)benzenesulfonate
CID 152762209
sodium;hydride;2-methyl-6-(trifluoromethyl)benzenesulfonic acid
CID 173302154
2-benzoyl-3-(trifluoromethyl)benzenesulfonyl chloride
CID 159729572
2-bromo-3-nitro-6-(trifluoromethyl)benzenesulfonyl chloride
CID 171000383
2-cyano-6-(trifluoromethyl)benzenesulfonamide
CID 171028588
2-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 140584359
N-tert-butyl-2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide
CID 23448647

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 2,6-bis(trifluoromethyl)benzenesulfonyl chloride (CID 18981651) is 2,6-bis(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,6-bis(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 2,6-bis(trifluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1c(C(F)(F)F)cccc1C(F)(F)F.
What is the InChIKey of 2,6-bis(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is RQMBZKGYBUIIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF6O2S/c9-18(16,17)6-4(7(10,11)12)2-1-3-5(6)8(13,14)15/h1-3H.
What are the key properties of 2,6-bis(trifluoromethyl)benzenesulfonyl chloride?
2,6-bis(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 312.62 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 18981651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).