4-methoxy-3-(trifluoromethyl)benzenesulfonyl chloride

C8H6ClF3O3S — CID 22482384

IUPAC4-methoxy-3-(trifluoromethyl)benzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)cc1C(F)(F)F
InChIInChI=1S/C8H6ClF3O3S/c1-15-7-3-2-5(16(9,13)14)4-6(7)8(10,11)12/h2-4H,1H3
InChIKeyAXNBCYIRTWOTHS-UHFFFAOYSA-N
MW274.65 g/mol
LogP2.64
Rot. Bonds2

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

4-methoxy-3-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 22482384) has the molecular formula C8H6ClF3O3S and a molecular weight of 274.65 g/mol. Its IUPAC name is 4-methoxy-3-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-methoxy-3-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID22482384
Molecular FormulaC8H6ClF3O3S
Molecular Weight274.65 g/mol
Exact Mass273.97
IUPAC Name4-methoxy-3-(trifluoromethyl)benzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)cc1C(F)(F)F
InChIInChI=1S/C8H6ClF3O3S/c1-15-7-3-2-5(16(9,13)14)4-6(7)8(10,11)12/h2-4H,1H3
InChIKeyAXNBCYIRTWOTHS-UHFFFAOYSA-N
XLogP2.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.65
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 4-methoxy-3-(trifluoromethyl)benzenesulfonyl chloride (CID 22482384) is 4-methoxy-3-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-methoxy-3-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 4-methoxy-3-(trifluoromethyl)benzenesulfonyl chloride is COc1ccc(S(=O)(=O)Cl)cc1C(F)(F)F.
What is the InChIKey of 4-methoxy-3-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is AXNBCYIRTWOTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O3S/c1-15-7-3-2-5(16(9,13)14)4-6(7)8(10,11)12/h2-4H,1H3.
What are the key properties of 4-methoxy-3-(trifluoromethyl)benzenesulfonyl chloride?
4-methoxy-3-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 274.65 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 22482384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).