3-(trifluoromethyl)benzenesulfonyl chloride

C7H4ClF3O2S — CID 2733250

IUPAC3-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C7H4ClF3O2S/c8-14(12,13)6-3-1-2-5(4-6)7(9,10)11/h1-4H
InChIKeyONCAZCNPWWQQMW-UHFFFAOYSA-N
MW244.62 g/mol
LogP2.63
Rot. Bonds1

About 3-(trifluoromethyl)benzenesulfonyl chloride

3-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 2733250) has the molecular formula C7H4ClF3O2S and a molecular weight of 244.62 g/mol. Its IUPAC name is 3-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID2733250
Molecular FormulaC7H4ClF3O2S
Molecular Weight244.62 g/mol
Exact Mass243.96
IUPAC Name3-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C7H4ClF3O2S/c8-14(12,13)6-3-1-2-5(4-6)7(9,10)11/h1-4H
InChIKeyONCAZCNPWWQQMW-UHFFFAOYSA-N
XLogP2.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.62
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 3-(trifluoromethyl)benzenesulfonyl chloride (CID 2733250) is 3-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 3-(trifluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is ONCAZCNPWWQQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3O2S/c8-14(12,13)6-3-1-2-5(4-6)7(9,10)11/h1-4H.
What are the key properties of 3-(trifluoromethyl)benzenesulfonyl chloride?
3-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 244.62 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 2733250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).