2-chloro-6-(2-fluoroethyl)benzenesulfonamide

C8H9ClFNO2S — CID 67825200

IUPAC2-chloro-6-(2-fluoroethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(Cl)cccc1CCF
InChIInChI=1S/C8H9ClFNO2S/c9-7-3-1-2-6(4-5-10)8(7)14(11,12)13/h1-3H,4-5H2,(H2,11,12,13)
InChIKeyVPNQHJTUAGUZRD-UHFFFAOYSA-N
MW237.68 g/mol
LogP1.50
Rot. Bonds3

About 2-chloro-6-(2-fluoroethyl)benzenesulfonamide

2-chloro-6-(2-fluoroethyl)benzenesulfonamide (PubChem CID 67825200) has the molecular formula C8H9ClFNO2S and a molecular weight of 237.68 g/mol. Its IUPAC name is 2-chloro-6-(2-fluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-6-(2-fluoroethyl)benzenesulfonamide
PubChem CID67825200
Molecular FormulaC8H9ClFNO2S
Molecular Weight237.68 g/mol
Exact Mass237.00
IUPAC Name2-chloro-6-(2-fluoroethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(Cl)cccc1CCF
InChIInChI=1S/C8H9ClFNO2S/c9-7-3-1-2-6(4-5-10)8(7)14(11,12)13/h1-3H,4-5H2,(H2,11,12,13)
InChIKeyVPNQHJTUAGUZRD-UHFFFAOYSA-N
XLogP1.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.68
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-fluoroethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-6-(2-fluoroethyl)benzenesulfonamide (CID 67825200) is 2-chloro-6-(2-fluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-6-(2-fluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-6-(2-fluoroethyl)benzenesulfonamide is NS(=O)(=O)c1c(Cl)cccc1CCF.
What is the InChIKey of 2-chloro-6-(2-fluoroethyl)benzenesulfonamide?
The InChIKey is VPNQHJTUAGUZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO2S/c9-7-3-1-2-6(4-5-10)8(7)14(11,12)13/h1-3H,4-5H2,(H2,11,12,13).
What are the key properties of 2-chloro-6-(2-fluoroethyl)benzenesulfonamide?
2-chloro-6-(2-fluoroethyl)benzenesulfonamide has a molecular weight of 237.68 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-fluoroethyl)benzenesulfonamide is sourced from PubChem (CID 67825200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).