2-fluoro-6-methoxybenzenesulfonyl chloride

C7H6ClFO3S — CID 50998413

IUPAC2-fluoro-6-methoxybenzenesulfonyl chloride
SMILESCOc1cccc(F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H6ClFO3S/c1-12-6-4-2-3-5(9)7(6)13(8,10)11/h2-4H,1H3
InChIKeyXJAVLIIXUXQDBO-UHFFFAOYSA-N
MW224.64 g/mol
LogP1.76
Rot. Bonds2

About 2-fluoro-6-methoxybenzenesulfonyl chloride

2-fluoro-6-methoxybenzenesulfonyl chloride (PubChem CID 50998413) has the molecular formula C7H6ClFO3S and a molecular weight of 224.64 g/mol. Its IUPAC name is 2-fluoro-6-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-6-methoxybenzenesulfonyl chloride
PubChem CID50998413
Molecular FormulaC7H6ClFO3S
Molecular Weight224.64 g/mol
Exact Mass223.97
IUPAC Name2-fluoro-6-methoxybenzenesulfonyl chloride
SMILESCOc1cccc(F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H6ClFO3S/c1-12-6-4-2-3-5(9)7(6)13(8,10)11/h2-4H,1H3
InChIKeyXJAVLIIXUXQDBO-UHFFFAOYSA-N
XLogP1.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thioguaiacol
CID 23642
1-Methoxy-2-(phenylsulfonyl)benzene
CID 640912
4-Methoxybenzenesulfonyl chloride
CID 7401
2-(Trifluoromethoxy)benzenesulfonamide
CID 2777208
2,5-Dimethoxybenzenesulfonyl chloride
CID 137025
Benzenesulfonyl fluoride, 3-(chlorosulfonyl)-4-methoxy-
CID 113469
2-(Difluoromethoxy)benzene-1-sulfonamide
CID 13322075
5-Fluoro-2-methoxybenzene-1-sulfonyl chloride
CID 2783409
p-(Trifluoromethoxy)benzenesulphonyl chloride
CID 523102
3-Methoxybenzenesulfonyl chloride
CID 2737504
2-Methoxybenzenesulfonyl Chloride
CID 3745851
2-Methoxybenzene-1-sulfonamide
CID 4739144

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxybenzenesulfonyl chloride?
The IUPAC name of 2-fluoro-6-methoxybenzenesulfonyl chloride (CID 50998413) is 2-fluoro-6-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 2-fluoro-6-methoxybenzenesulfonyl chloride?
The canonical SMILES for 2-fluoro-6-methoxybenzenesulfonyl chloride is COc1cccc(F)c1S(=O)(=O)Cl.
What is the InChIKey of 2-fluoro-6-methoxybenzenesulfonyl chloride?
The InChIKey is XJAVLIIXUXQDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO3S/c1-12-6-4-2-3-5(9)7(6)13(8,10)11/h2-4H,1H3.
What are the key properties of 2-fluoro-6-methoxybenzenesulfonyl chloride?
2-fluoro-6-methoxybenzenesulfonyl chloride has a molecular weight of 224.64 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 50998413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).