2-ethoxy-5-(trifluoromethyl)benzenesulfonyl chloride

C9H8ClF3O3S — CID 112706665

IUPAC2-ethoxy-5-(trifluoromethyl)benzenesulfonyl chloride
SMILESCCOc1ccc(C(F)(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H8ClF3O3S/c1-2-16-7-4-3-6(9(11,12)13)5-8(7)17(10,14)15/h3-5H,2H2,1H3
InChIKeyXWVLGBMDWHXJDV-UHFFFAOYSA-N
MW288.67 g/mol
LogP3.03
Rot. Bonds3

About 2-ethoxy-5-(trifluoromethyl)benzenesulfonyl chloride

2-ethoxy-5-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 112706665) has the molecular formula C9H8ClF3O3S and a molecular weight of 288.67 g/mol. Its IUPAC name is 2-ethoxy-5-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-ethoxy-5-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID112706665
Molecular FormulaC9H8ClF3O3S
Molecular Weight288.67 g/mol
Exact Mass287.98
IUPAC Name2-ethoxy-5-(trifluoromethyl)benzenesulfonyl chloride
SMILESCCOc1ccc(C(F)(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H8ClF3O3S/c1-2-16-7-4-3-6(9(11,12)13)5-8(7)17(10,14)15/h3-5H,2H2,1H3
InChIKeyXWVLGBMDWHXJDV-UHFFFAOYSA-N
XLogP3.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.67
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzenesulfonic acid, 2-(2,2-difluoroethoxy)-6-(trifluoromethyl)-
CID 86278332
6-Ethyl-3-trifluoromethyl-2,3-dihydro-benzo[1,4]oxathiine 4,4-dioxide
CID 571273
6-Methoxy-m-toluenesulfonyl chloride
CID 145149
2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)benzene-1-sulfonyl chloride
CID 16050308
5-Ethyl-2-methoxybenzene-1-sulfonyl chloride
CID 2758862
2-Methoxy-5-(propan-2-yl)benzene-1-sulfonyl chloride
CID 6488895
2-Methoxy-4-methylbenzene-1-sulfonyl chloride
CID 11345048
5-Cyano-2-methoxybenzene-1-sulfonyl chloride
CID 11528751
5-tert-Butyl-2-methoxybenzene-1-sulfonyl chloride
CID 13210231
4-Ethoxy-3-methylbenzenesulfonyl chloride
CID 17389860
2,3-Dihydro-1-benzofuran-7-sulfonyl chloride
CID 18616199
2-Ethoxybenzene-1-sulfonyl chloride
CID 18944993

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 2-ethoxy-5-(trifluoromethyl)benzenesulfonyl chloride (CID 112706665) is 2-ethoxy-5-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-ethoxy-5-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 2-ethoxy-5-(trifluoromethyl)benzenesulfonyl chloride is CCOc1ccc(C(F)(F)F)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-ethoxy-5-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is XWVLGBMDWHXJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O3S/c1-2-16-7-4-3-6(9(11,12)13)5-8(7)17(10,14)15/h3-5H,2H2,1H3.
What are the key properties of 2-ethoxy-5-(trifluoromethyl)benzenesulfonyl chloride?
2-ethoxy-5-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 288.67 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 112706665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).