2-cyano-N-(cyclohex-3-en-1-ylmethyl)-3-fluorobenzenesulfonamide

C14H15FN2O2S — CID 103833545

IUPAC2-cyano-N-(cyclohex-3-en-1-ylmethyl)-3-fluorobenzenesulfonamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)NCC1CC=CCC1
InChIInChI=1S/C14H15FN2O2S/c15-13-7-4-8-14(12(13)9-16)20(18,19)17-10-11-5-2-1-3-6-11/h1-2,4,7-8,11,17H,3,5-6,10H2
InChIKeyWFWIVYYKMMTBIB-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.33
Rot. Bonds4

About 2-cyano-N-(cyclohex-3-en-1-ylmethyl)-3-fluorobenzenesulfonamide

2-cyano-N-(cyclohex-3-en-1-ylmethyl)-3-fluorobenzenesulfonamide (PubChem CID 103833545) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-cyano-N-(cyclohex-3-en-1-ylmethyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(cyclohex-3-en-1-ylmethyl)-3-fluorobenzenesulfonamide
PubChem CID103833545
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-cyano-N-(cyclohex-3-en-1-ylmethyl)-3-fluorobenzenesulfonamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)NCC1CC=CCC1
InChIInChI=1S/C14H15FN2O2S/c15-13-7-4-8-14(12(13)9-16)20(18,19)17-10-11-5-2-1-3-6-11/h1-2,4,7-8,11,17H,3,5-6,10H2
InChIKeyWFWIVYYKMMTBIB-UHFFFAOYSA-N
XLogP2.33
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
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-(cyclohex-3-en-1-ylmethyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 2-cyano-N-(cyclohex-3-en-1-ylmethyl)-3-fluorobenzenesulfonamide (CID 103833545) is 2-cyano-N-(cyclohex-3-en-1-ylmethyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(cyclohex-3-en-1-ylmethyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 2-cyano-N-(cyclohex-3-en-1-ylmethyl)-3-fluorobenzenesulfonamide is N#Cc1c(F)cccc1S(=O)(=O)NCC1CC=CCC1.
What is the InChIKey of 2-cyano-N-(cyclohex-3-en-1-ylmethyl)-3-fluorobenzenesulfonamide?
The InChIKey is WFWIVYYKMMTBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c15-13-7-4-8-14(12(13)9-16)20(18,19)17-10-11-5-2-1-3-6-11/h1-2,4,7-8,11,17H,3,5-6,10H2.
What are the key properties of 2-cyano-N-(cyclohex-3-en-1-ylmethyl)-3-fluorobenzenesulfonamide?
2-cyano-N-(cyclohex-3-en-1-ylmethyl)-3-fluorobenzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(cyclohex-3-en-1-ylmethyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103833545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).