2-cyano-N-pent-4-en-2-ylbenzenesulfonamide

C12H14N2O2S — CID 113317113

IUPAC2-cyano-N-pent-4-en-2-ylbenzenesulfonamide
SMILESC=CCC(C)NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C12H14N2O2S/c1-3-6-10(2)14-17(15,16)12-8-5-4-7-11(12)9-13/h3-5,7-8,10,14H,1,6H2,2H3
InChIKeyGXNZCLCFPACUGK-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.80
Rot. Bonds5

About 2-cyano-N-pent-4-en-2-ylbenzenesulfonamide

2-cyano-N-pent-4-en-2-ylbenzenesulfonamide (PubChem CID 113317113) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-cyano-N-pent-4-en-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-pent-4-en-2-ylbenzenesulfonamide
PubChem CID113317113
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-cyano-N-pent-4-en-2-ylbenzenesulfonamide
SMILESC=CCC(C)NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C12H14N2O2S/c1-3-6-10(2)14-17(15,16)12-8-5-4-7-11(12)9-13/h3-5,7-8,10,14H,1,6H2,2H3
InChIKeyGXNZCLCFPACUGK-UHFFFAOYSA-N
XLogP1.80
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide
CID 113466265
2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 113318745
methyl 2-(pent-4-en-2-ylsulfamoyl)benzoate
CID 103833670
2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide
CID 17464362
2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93084103
2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113320190
2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40973699
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
5-bromo-2-nitro-N-pent-4-en-2-ylbenzenesulfonamide
CID 115632061
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide
CID 115310566
2-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide
CID 90656554
2-[(2-cyanophenyl)sulfonylamino]hexanoic acid
CID 43386741

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-pent-4-en-2-ylbenzenesulfonamide?
The IUPAC name of 2-cyano-N-pent-4-en-2-ylbenzenesulfonamide (CID 113317113) is 2-cyano-N-pent-4-en-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-cyano-N-pent-4-en-2-ylbenzenesulfonamide?
The canonical SMILES for 2-cyano-N-pent-4-en-2-ylbenzenesulfonamide is C=CCC(C)NS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-pent-4-en-2-ylbenzenesulfonamide?
The InChIKey is GXNZCLCFPACUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-6-10(2)14-17(15,16)12-8-5-4-7-11(12)9-13/h3-5,7-8,10,14H,1,6H2,2H3.
What are the key properties of 2-cyano-N-pent-4-en-2-ylbenzenesulfonamide?
2-cyano-N-pent-4-en-2-ylbenzenesulfonamide has a molecular weight of 250.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-pent-4-en-2-ylbenzenesulfonamide is sourced from PubChem (CID 113317113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).