3,5-bis(trifluoromethyl)benzenesulfonyl chloride

C8H3ClF6O2S — CID 520945

IUPAC3,5-bis(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C8H3ClF6O2S/c9-18(16,17)6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H
InChIKeyBTRCVKADYDVSLI-UHFFFAOYSA-N
MW312.62 g/mol
LogP3.65
Rot. Bonds1

About 3,5-bis(trifluoromethyl)benzenesulfonyl chloride

3,5-bis(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 520945) has the molecular formula C8H3ClF6O2S and a molecular weight of 312.62 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)benzenesulfonyl chloride
PubChem CID520945
Molecular FormulaC8H3ClF6O2S
Molecular Weight312.62 g/mol
Exact Mass311.94
IUPAC Name3,5-bis(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C8H3ClF6O2S/c9-18(16,17)6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H
InChIKeyBTRCVKADYDVSLI-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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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 3,5-bis(trifluoromethyl)benzenesulfonyl chloride (CID 520945) is 3,5-bis(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 3,5-bis(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 3,5-bis(trifluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 3,5-bis(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is BTRCVKADYDVSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF6O2S/c9-18(16,17)6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H.
What are the key properties of 3,5-bis(trifluoromethyl)benzenesulfonyl chloride?
3,5-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 3,5-bis(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 520945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).