3-chloro-4-(trifluoromethyl)benzenesulfonyl chloride

C7H3Cl2F3O2S — CID 22148755

IUPAC3-chloro-4-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C7H3Cl2F3O2S/c8-6-3-4(15(9,13)14)1-2-5(6)7(10,11)12/h1-3H
InChIKeyYEKUNAGQKGXFEN-UHFFFAOYSA-N
MW279.07 g/mol
LogP3.29
Rot. Bonds1

About 3-chloro-4-(trifluoromethyl)benzenesulfonyl chloride

3-chloro-4-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 22148755) has the molecular formula C7H3Cl2F3O2S and a molecular weight of 279.07 g/mol. Its IUPAC name is 3-chloro-4-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-4-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID22148755
Molecular FormulaC7H3Cl2F3O2S
Molecular Weight279.07 g/mol
Exact Mass277.92
IUPAC Name3-chloro-4-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C7H3Cl2F3O2S/c8-6-3-4(15(9,13)14)1-2-5(6)7(10,11)12/h1-3H
InChIKeyYEKUNAGQKGXFEN-UHFFFAOYSA-N
XLogP3.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.07
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 3-chloro-4-(trifluoromethyl)benzenesulfonyl chloride (CID 22148755) is 3-chloro-4-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-4-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-4-(trifluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(C(F)(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is YEKUNAGQKGXFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F3O2S/c8-6-3-4(15(9,13)14)1-2-5(6)7(10,11)12/h1-3H.
What are the key properties of 3-chloro-4-(trifluoromethyl)benzenesulfonyl chloride?
3-chloro-4-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 279.07 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 22148755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).