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

C13H16N2O2S — CID 30325767

IUPAC2-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C13H16N2O2S/c1-4-15(10-11(2)3)18(16,17)13-8-6-5-7-12(13)9-14/h5-8H,2,4,10H2,1,3H3
InChIKeyIHNAOUUIVOJSOT-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.14
Rot. Bonds5

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

2-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 30325767) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID30325767
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C13H16N2O2S/c1-4-15(10-11(2)3)18(16,17)13-8-6-5-7-12(13)9-14/h5-8H,2,4,10H2,1,3H3
InChIKeyIHNAOUUIVOJSOT-UHFFFAOYSA-N
XLogP2.14
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.14
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-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 30325767) is 2-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CN(CC)S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is IHNAOUUIVOJSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-4-15(10-11(2)3)18(16,17)13-8-6-5-7-12(13)9-14/h5-8H,2,4,10H2,1,3H3.
What are the key properties of 2-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
2-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 264.35 g/mol, XLogP of 2.14, 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-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 30325767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).