6-methoxy-5-(trifluoromethyl)naphthalene-1-sulfonyl chloride

C12H8ClF3O3S — CID 14156166

IUPAC6-methoxy-5-(trifluoromethyl)naphthalene-1-sulfonyl chloride
SMILESCOc1ccc2c(S(=O)(=O)Cl)cccc2c1C(F)(F)F
InChIInChI=1S/C12H8ClF3O3S/c1-19-9-6-5-7-8(11(9)12(14,15)16)3-2-4-10(7)20(13,17)18/h2-6H,1H3
InChIKeyKVDCTYOFKIXXRQ-UHFFFAOYSA-N
MW324.71 g/mol
LogP3.79
Rot. Bonds2

About 6-methoxy-5-(trifluoromethyl)naphthalene-1-sulfonyl chloride

6-methoxy-5-(trifluoromethyl)naphthalene-1-sulfonyl chloride (PubChem CID 14156166) has the molecular formula C12H8ClF3O3S and a molecular weight of 324.71 g/mol. Its IUPAC name is 6-methoxy-5-(trifluoromethyl)naphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name6-methoxy-5-(trifluoromethyl)naphthalene-1-sulfonyl chloride
PubChem CID14156166
Molecular FormulaC12H8ClF3O3S
Molecular Weight324.71 g/mol
Exact Mass323.98
IUPAC Name6-methoxy-5-(trifluoromethyl)naphthalene-1-sulfonyl chloride
SMILESCOc1ccc2c(S(=O)(=O)Cl)cccc2c1C(F)(F)F
InChIInChI=1S/C12H8ClF3O3S/c1-19-9-6-5-7-8(11(9)12(14,15)16)3-2-4-10(7)20(13,17)18/h2-6H,1H3
InChIKeyKVDCTYOFKIXXRQ-UHFFFAOYSA-N
XLogP3.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.71
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-(trifluoromethyl)naphthalene-1-sulfonyl chloride?
The IUPAC name of 6-methoxy-5-(trifluoromethyl)naphthalene-1-sulfonyl chloride (CID 14156166) is 6-methoxy-5-(trifluoromethyl)naphthalene-1-sulfonyl chloride.
What is the SMILES notation for 6-methoxy-5-(trifluoromethyl)naphthalene-1-sulfonyl chloride?
The canonical SMILES for 6-methoxy-5-(trifluoromethyl)naphthalene-1-sulfonyl chloride is COc1ccc2c(S(=O)(=O)Cl)cccc2c1C(F)(F)F.
What is the InChIKey of 6-methoxy-5-(trifluoromethyl)naphthalene-1-sulfonyl chloride?
The InChIKey is KVDCTYOFKIXXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3O3S/c1-19-9-6-5-7-8(11(9)12(14,15)16)3-2-4-10(7)20(13,17)18/h2-6H,1H3.
What are the key properties of 6-methoxy-5-(trifluoromethyl)naphthalene-1-sulfonyl chloride?
6-methoxy-5-(trifluoromethyl)naphthalene-1-sulfonyl chloride has a molecular weight of 324.71 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(trifluoromethyl)naphthalene-1-sulfonyl chloride is sourced from PubChem (CID 14156166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).