3-(1-fluoroethyl)-2-methoxybenzenesulfonyl chloride

C9H10ClFO3S — CID 84707702

IUPAC3-(1-fluoroethyl)-2-methoxybenzenesulfonyl chloride
SMILESCOc1c(C(C)F)cccc1S(=O)(=O)Cl
InChIInChI=1S/C9H10ClFO3S/c1-6(11)7-4-3-5-8(9(7)14-2)15(10,12)13/h3-6H,1-2H3
InChIKeyZWYLEZJZPLFXEA-UHFFFAOYSA-N
MW252.69 g/mol
LogP2.65
Rot. Bonds3

About 3-(1-fluoroethyl)-2-methoxybenzenesulfonyl chloride

3-(1-fluoroethyl)-2-methoxybenzenesulfonyl chloride (PubChem CID 84707702) has the molecular formula C9H10ClFO3S and a molecular weight of 252.69 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(1-fluoroethyl)-2-methoxybenzenesulfonyl chloride
PubChem CID84707702
Molecular FormulaC9H10ClFO3S
Molecular Weight252.69 g/mol
Exact Mass252.00
IUPAC Name3-(1-fluoroethyl)-2-methoxybenzenesulfonyl chloride
SMILESCOc1c(C(C)F)cccc1S(=O)(=O)Cl
InChIInChI=1S/C9H10ClFO3S/c1-6(11)7-4-3-5-8(9(7)14-2)15(10,12)13/h3-6H,1-2H3
InChIKeyZWYLEZJZPLFXEA-UHFFFAOYSA-N
XLogP2.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.69
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 3-(1-fluoroethyl)-2-methoxybenzenesulfonyl chloride (CID 84707702) is 3-(1-fluoroethyl)-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 3-(1-fluoroethyl)-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 3-(1-fluoroethyl)-2-methoxybenzenesulfonyl chloride is COc1c(C(C)F)cccc1S(=O)(=O)Cl.
What is the InChIKey of 3-(1-fluoroethyl)-2-methoxybenzenesulfonyl chloride?
The InChIKey is ZWYLEZJZPLFXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO3S/c1-6(11)7-4-3-5-8(9(7)14-2)15(10,12)13/h3-6H,1-2H3.
What are the key properties of 3-(1-fluoroethyl)-2-methoxybenzenesulfonyl chloride?
3-(1-fluoroethyl)-2-methoxybenzenesulfonyl chloride has a molecular weight of 252.69 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 84707702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).