5-methyl-2-(trifluoromethoxy)benzenesulfonyl chloride

C8H6ClF3O3S — CID 86811483

IUPAC5-methyl-2-(trifluoromethoxy)benzenesulfonyl chloride
SMILESCc1ccc(OC(F)(F)F)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C8H6ClF3O3S/c1-5-2-3-6(15-8(10,11)12)7(4-5)16(9,13)14/h2-4H,1H3
InChIKeyMZUBCESTEHWEEN-UHFFFAOYSA-N
MW274.65 g/mol
LogP2.82
Rot. Bonds2

About 5-methyl-2-(trifluoromethoxy)benzenesulfonyl chloride

5-methyl-2-(trifluoromethoxy)benzenesulfonyl chloride (PubChem CID 86811483) has the molecular formula C8H6ClF3O3S and a molecular weight of 274.65 g/mol. Its IUPAC name is 5-methyl-2-(trifluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-methyl-2-(trifluoromethoxy)benzenesulfonyl chloride
PubChem CID86811483
Molecular FormulaC8H6ClF3O3S
Molecular Weight274.65 g/mol
Exact Mass273.97
IUPAC Name5-methyl-2-(trifluoromethoxy)benzenesulfonyl chloride
SMILESCc1ccc(OC(F)(F)F)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C8H6ClF3O3S/c1-5-2-3-6(15-8(10,11)12)7(4-5)16(9,13)14/h2-4H,1H3
InChIKeyMZUBCESTEHWEEN-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(trifluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 5-methyl-2-(trifluoromethoxy)benzenesulfonyl chloride (CID 86811483) is 5-methyl-2-(trifluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-methyl-2-(trifluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-methyl-2-(trifluoromethoxy)benzenesulfonyl chloride is Cc1ccc(OC(F)(F)F)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 5-methyl-2-(trifluoromethoxy)benzenesulfonyl chloride?
The InChIKey is MZUBCESTEHWEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O3S/c1-5-2-3-6(15-8(10,11)12)7(4-5)16(9,13)14/h2-4H,1H3.
What are the key properties of 5-methyl-2-(trifluoromethoxy)benzenesulfonyl chloride?
5-methyl-2-(trifluoromethoxy)benzenesulfonyl chloride has a molecular weight of 274.65 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(trifluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 86811483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).