5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride

C13H8ClF3O4S2 — CID 25189329

IUPAC5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F
InChIInChI=1S/C13H8ClF3O4S2/c14-23(20,21)12-8-10(6-7-11(12)13(15,16)17)22(18,19)9-4-2-1-3-5-9/h1-8H
InChIKeyDXJNKYPNEBOXIN-UHFFFAOYSA-N
MW384.78 g/mol
LogP3.47
Rot. Bonds3

About 5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride

5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 25189329) has the molecular formula C13H8ClF3O4S2 and a molecular weight of 384.78 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID25189329
Molecular FormulaC13H8ClF3O4S2
Molecular Weight384.78 g/mol
Exact Mass383.95
IUPAC Name5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F
InChIInChI=1S/C13H8ClF3O4S2/c14-23(20,21)12-8-10(6-7-11(12)13(15,16)17)22(18,19)9-4-2-1-3-5-9/h1-8H
InChIKeyDXJNKYPNEBOXIN-UHFFFAOYSA-N
XLogP3.47
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.78
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride (CID 25189329) is 5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F.
What is the InChIKey of 5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is DXJNKYPNEBOXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3O4S2/c14-23(20,21)12-8-10(6-7-11(12)13(15,16)17)22(18,19)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride?
5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 384.78 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 25189329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).