2-chloro-6-(1-fluoroethyl)benzenesulfonamide

C8H9ClFNO2S — CID 19912246

IUPAC2-chloro-6-(1-fluoroethyl)benzenesulfonamide
SMILESCC(F)c1cccc(Cl)c1S(N)(=O)=O
InChIInChI=1S/C8H9ClFNO2S/c1-5(10)6-3-2-4-7(9)8(6)14(11,12)13/h2-5H,1H3,(H2,11,12,13)
InChIKeyJEVJHCJYVMVDOC-UHFFFAOYSA-N
MW237.68 g/mol
LogP2.02
Rot. Bonds2

About 2-chloro-6-(1-fluoroethyl)benzenesulfonamide

2-chloro-6-(1-fluoroethyl)benzenesulfonamide (PubChem CID 19912246) has the molecular formula C8H9ClFNO2S and a molecular weight of 237.68 g/mol. Its IUPAC name is 2-chloro-6-(1-fluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-6-(1-fluoroethyl)benzenesulfonamide
PubChem CID19912246
Molecular FormulaC8H9ClFNO2S
Molecular Weight237.68 g/mol
Exact Mass237.00
IUPAC Name2-chloro-6-(1-fluoroethyl)benzenesulfonamide
SMILESCC(F)c1cccc(Cl)c1S(N)(=O)=O
InChIInChI=1S/C8H9ClFNO2S/c1-5(10)6-3-2-4-7(9)8(6)14(11,12)13/h2-5H,1H3,(H2,11,12,13)
InChIKeyJEVJHCJYVMVDOC-UHFFFAOYSA-N
XLogP2.02
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.68
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-fluoroethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-6-(1-fluoroethyl)benzenesulfonamide (CID 19912246) is 2-chloro-6-(1-fluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-6-(1-fluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-6-(1-fluoroethyl)benzenesulfonamide is CC(F)c1cccc(Cl)c1S(N)(=O)=O.
What is the InChIKey of 2-chloro-6-(1-fluoroethyl)benzenesulfonamide?
The InChIKey is JEVJHCJYVMVDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO2S/c1-5(10)6-3-2-4-7(9)8(6)14(11,12)13/h2-5H,1H3,(H2,11,12,13).
What are the key properties of 2-chloro-6-(1-fluoroethyl)benzenesulfonamide?
2-chloro-6-(1-fluoroethyl)benzenesulfonamide has a molecular weight of 237.68 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-fluoroethyl)benzenesulfonamide is sourced from PubChem (CID 19912246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).