2-methoxy-5-(trifluoromethylsulfonyl)benzenesulfonyl chloride

C8H6ClF3O5S2 — CID 62499252

IUPAC2-methoxy-5-(trifluoromethylsulfonyl)benzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)C(F)(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H6ClF3O5S2/c1-17-6-3-2-5(4-7(6)19(9,15)16)18(13,14)8(10,11)12/h2-4H,1H3
InChIKeyYJOHGFZZDYSZRM-UHFFFAOYSA-N
MW338.71 g/mol
LogP1.92
Rot. Bonds3

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

2-methoxy-5-(trifluoromethylsulfonyl)benzenesulfonyl chloride (PubChem CID 62499252) has the molecular formula C8H6ClF3O5S2 and a molecular weight of 338.71 g/mol. Its IUPAC name is 2-methoxy-5-(trifluoromethylsulfonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methoxy-5-(trifluoromethylsulfonyl)benzenesulfonyl chloride
PubChem CID62499252
Molecular FormulaC8H6ClF3O5S2
Molecular Weight338.71 g/mol
Exact Mass337.93
IUPAC Name2-methoxy-5-(trifluoromethylsulfonyl)benzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)C(F)(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H6ClF3O5S2/c1-17-6-3-2-5(4-7(6)19(9,15)16)18(13,14)8(10,11)12/h2-4H,1H3
InChIKeyYJOHGFZZDYSZRM-UHFFFAOYSA-N
XLogP1.92
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.71
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride
CID 84711706
2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride
CID 53399143
1-methoxy-2-nitro-4-(trifluoromethylsulfonyl)benzene
CID 1380916
5-acetyl-2-methoxybenzenesulfonyl chloride
CID 4737384
5-(dihydroxymethyl)-2-methoxybenzenesulfonyl chloride
CID 134424202
4-methoxybenzene-1,3-disulfonic acid
CID 54483925
1-chloro-2,4-bis(trifluoromethylsulfonyl)benzene
CID 3496072
2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride
CID 13106258
2-methoxy-N-[2-[(3-nitrophenyl)sulfonylamino]phenyl]-5-(trifluoromethylsulfonyl)benzenesulfonamide
CID 68948180
2-amino-2-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroacetic acid
CID 141144852
5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride
CID 18700405
2-(4-bromophenyl)-N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-2-methylpropanamide
CID 60622628

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(trifluoromethylsulfonyl)benzenesulfonyl chloride?
The IUPAC name of 2-methoxy-5-(trifluoromethylsulfonyl)benzenesulfonyl chloride (CID 62499252) is 2-methoxy-5-(trifluoromethylsulfonyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-methoxy-5-(trifluoromethylsulfonyl)benzenesulfonyl chloride?
The canonical SMILES for 2-methoxy-5-(trifluoromethylsulfonyl)benzenesulfonyl chloride is COc1ccc(S(=O)(=O)C(F)(F)F)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methoxy-5-(trifluoromethylsulfonyl)benzenesulfonyl chloride?
The InChIKey is YJOHGFZZDYSZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O5S2/c1-17-6-3-2-5(4-7(6)19(9,15)16)18(13,14)8(10,11)12/h2-4H,1H3.
What are the key properties of 2-methoxy-5-(trifluoromethylsulfonyl)benzenesulfonyl chloride?
2-methoxy-5-(trifluoromethylsulfonyl)benzenesulfonyl chloride has a molecular weight of 338.71 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(trifluoromethylsulfonyl)benzenesulfonyl chloride is sourced from PubChem (CID 62499252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).