4,5-dimethoxy-2-(trifluoromethyl)benzenesulfonyl chloride

C9H8ClF3O4S — CID 22185888

IUPAC4,5-dimethoxy-2-(trifluoromethyl)benzenesulfonyl chloride
SMILESCOc1cc(C(F)(F)F)c(S(=O)(=O)Cl)cc1OC
InChIInChI=1S/C9H8ClF3O4S/c1-16-6-3-5(9(11,12)13)8(18(10,14)15)4-7(6)17-2/h3-4H,1-2H3
InChIKeyGASXMXAHMIYPSY-UHFFFAOYSA-N
MW304.67 g/mol
LogP2.65
Rot. Bonds3

About 4,5-dimethoxy-2-(trifluoromethyl)benzenesulfonyl chloride

4,5-dimethoxy-2-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 22185888) has the molecular formula C9H8ClF3O4S and a molecular weight of 304.67 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4,5-dimethoxy-2-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID22185888
Molecular FormulaC9H8ClF3O4S
Molecular Weight304.67 g/mol
Exact Mass303.98
IUPAC Name4,5-dimethoxy-2-(trifluoromethyl)benzenesulfonyl chloride
SMILESCOc1cc(C(F)(F)F)c(S(=O)(=O)Cl)cc1OC
InChIInChI=1S/C9H8ClF3O4S/c1-16-6-3-5(9(11,12)13)8(18(10,14)15)4-7(6)17-2/h3-4H,1-2H3
InChIKeyGASXMXAHMIYPSY-UHFFFAOYSA-N
XLogP2.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.67
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 4,5-dimethoxy-2-(trifluoromethyl)benzenesulfonyl chloride (CID 22185888) is 4,5-dimethoxy-2-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 4,5-dimethoxy-2-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 4,5-dimethoxy-2-(trifluoromethyl)benzenesulfonyl chloride is COc1cc(C(F)(F)F)c(S(=O)(=O)Cl)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is GASXMXAHMIYPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O4S/c1-16-6-3-5(9(11,12)13)8(18(10,14)15)4-7(6)17-2/h3-4H,1-2H3.
What are the key properties of 4,5-dimethoxy-2-(trifluoromethyl)benzenesulfonyl chloride?
4,5-dimethoxy-2-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 304.67 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 22185888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).