2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride

C8H6ClF3O3S — CID 53399143

IUPAC2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride
SMILESCOc1ccc(C(F)(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H6ClF3O3S/c1-15-6-3-2-5(8(10,11)12)4-7(6)16(9,13)14/h2-4H,1H3
InChIKeyLMOADGGLIGJXFZ-UHFFFAOYSA-N
MW274.65 g/mol
LogP2.64
Rot. Bonds2

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

2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 53399143) has the molecular formula C8H6ClF3O3S and a molecular weight of 274.65 g/mol. Its IUPAC name is 2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID53399143
Molecular FormulaC8H6ClF3O3S
Molecular Weight274.65 g/mol
Exact Mass273.97
IUPAC Name2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride
SMILESCOc1ccc(C(F)(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H6ClF3O3S/c1-15-6-3-2-5(8(10,11)12)4-7(6)16(9,13)14/h2-4H,1H3
InChIKeyLMOADGGLIGJXFZ-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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Related Compounds

5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride
CID 84711706
2-methoxy-5-(trifluoromethylsulfonyl)benzenesulfonyl chloride
CID 62499252
2-methoxy-5-(2-methylheptan-2-yl)benzenesulfonyl chloride
CID 54418079
2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene
CID 46311740
5-acetyl-2-methoxybenzenesulfonyl chloride
CID 4737384
5-(dihydroxymethyl)-2-methoxybenzenesulfonyl chloride
CID 134424202
5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride
CID 18700405
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
2-cyclohexa-1,5-dien-1-yl-1-methoxy-4-(trifluoromethyl)benzene
CID 142950707
5-tert-butyl-2-propoxybenzenesulfonyl chloride
CID 2757334
5-chloro-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 4982528
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 55353351

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride (CID 53399143) is 2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride is COc1ccc(C(F)(F)F)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is LMOADGGLIGJXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O3S/c1-15-6-3-2-5(8(10,11)12)4-7(6)16(9,13)14/h2-4H,1H3.
What are the key properties of 2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride?
2-methoxy-5-(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 2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 53399143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).