2-cyano-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide

C13H15FN2O2S — CID 75373180

IUPAC2-cyano-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C13H15FN2O2S/c1-4-16(9-10(2)3)19(17,18)13-7-5-6-12(14)11(13)8-15/h5-7H,2,4,9H2,1,3H3
InChIKeyRMNNIDWFRSWSJZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.28
Rot. Bonds5

About 2-cyano-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide

2-cyano-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 75373180) has the molecular formula C13H15FN2O2S and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-cyano-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID75373180
Molecular FormulaC13H15FN2O2S
Molecular Weight282.34 g/mol
Exact Mass282.08
IUPAC Name2-cyano-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C13H15FN2O2S/c1-4-16(9-10(2)3)19(17,18)13-7-5-6-12(14)11(13)8-15/h5-7H,2,4,9H2,1,3H3
InChIKeyRMNNIDWFRSWSJZ-UHFFFAOYSA-N
XLogP2.28
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 75373180) is 2-cyano-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CN(CC)S(=O)(=O)c1cccc(F)c1C#N.
What is the InChIKey of 2-cyano-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is RMNNIDWFRSWSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S/c1-4-16(9-10(2)3)19(17,18)13-7-5-6-12(14)11(13)8-15/h5-7H,2,4,9H2,1,3H3.
What are the key properties of 2-cyano-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide?
2-cyano-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 282.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 75373180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).