2-cyano-N-ethyl-4-fluoro-3-methoxybenzenesulfonamide

C10H11FN2O3S — CID 25064796

IUPAC2-cyano-N-ethyl-4-fluoro-3-methoxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(F)c(OC)c1C#N
InChIInChI=1S/C10H11FN2O3S/c1-3-13-17(14,15)9-5-4-8(11)10(16-2)7(9)6-12/h4-5,13H,3H2,1-2H3
InChIKeyGPWLIEFGBIFJEL-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.00
Rot. Bonds4

About 2-cyano-N-ethyl-4-fluoro-3-methoxybenzenesulfonamide

2-cyano-N-ethyl-4-fluoro-3-methoxybenzenesulfonamide (PubChem CID 25064796) has the molecular formula C10H11FN2O3S and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-cyano-N-ethyl-4-fluoro-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-4-fluoro-3-methoxybenzenesulfonamide
PubChem CID25064796
Molecular FormulaC10H11FN2O3S
Molecular Weight258.27 g/mol
Exact Mass258.05
IUPAC Name2-cyano-N-ethyl-4-fluoro-3-methoxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(F)c(OC)c1C#N
InChIInChI=1S/C10H11FN2O3S/c1-3-13-17(14,15)9-5-4-8(11)10(16-2)7(9)6-12/h4-5,13H,3H2,1-2H3
InChIKeyGPWLIEFGBIFJEL-UHFFFAOYSA-N
XLogP1.00
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-4-fluoro-3-methoxybenzenesulfonamide?
The IUPAC name of 2-cyano-N-ethyl-4-fluoro-3-methoxybenzenesulfonamide (CID 25064796) is 2-cyano-N-ethyl-4-fluoro-3-methoxybenzenesulfonamide.
What is the SMILES notation for 2-cyano-N-ethyl-4-fluoro-3-methoxybenzenesulfonamide?
The canonical SMILES for 2-cyano-N-ethyl-4-fluoro-3-methoxybenzenesulfonamide is CCNS(=O)(=O)c1ccc(F)c(OC)c1C#N.
What is the InChIKey of 2-cyano-N-ethyl-4-fluoro-3-methoxybenzenesulfonamide?
The InChIKey is GPWLIEFGBIFJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3S/c1-3-13-17(14,15)9-5-4-8(11)10(16-2)7(9)6-12/h4-5,13H,3H2,1-2H3.
What are the key properties of 2-cyano-N-ethyl-4-fluoro-3-methoxybenzenesulfonamide?
2-cyano-N-ethyl-4-fluoro-3-methoxybenzenesulfonamide has a molecular weight of 258.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethyl-4-fluoro-3-methoxybenzenesulfonamide is sourced from PubChem (CID 25064796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).