N-naphthalen-1-ylsulfonylpent-4-enamide

C15H15NO3S — CID 99857404

IUPACN-naphthalen-1-ylsulfonylpent-4-enamide
SMILESC=CCCC(=O)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H15NO3S/c1-2-3-11-15(17)16-20(18,19)14-10-6-8-12-7-4-5-9-13(12)14/h2,4-10H,1,3,11H2,(H,16,17)
InChIKeyZUYLRNYVFKJBQT-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.61
Rot. Bonds5

About N-naphthalen-1-ylsulfonylpent-4-enamide

N-naphthalen-1-ylsulfonylpent-4-enamide (PubChem CID 99857404) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-naphthalen-1-ylsulfonylpent-4-enamide.

Molecular Properties

Compound NameN-naphthalen-1-ylsulfonylpent-4-enamide
PubChem CID99857404
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-naphthalen-1-ylsulfonylpent-4-enamide
SMILESC=CCCC(=O)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H15NO3S/c1-2-3-11-15(17)16-20(18,19)14-10-6-8-12-7-4-5-9-13(12)14/h2,4-10H,1,3,11H2,(H,16,17)
InChIKeyZUYLRNYVFKJBQT-UHFFFAOYSA-N
XLogP2.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.61
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 N-naphthalen-1-ylsulfonylpent-4-enamide?
The IUPAC name of N-naphthalen-1-ylsulfonylpent-4-enamide (CID 99857404) is N-naphthalen-1-ylsulfonylpent-4-enamide.
What is the SMILES notation for N-naphthalen-1-ylsulfonylpent-4-enamide?
The canonical SMILES for N-naphthalen-1-ylsulfonylpent-4-enamide is C=CCCC(=O)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-ylsulfonylpent-4-enamide?
The InChIKey is ZUYLRNYVFKJBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-2-3-11-15(17)16-20(18,19)14-10-6-8-12-7-4-5-9-13(12)14/h2,4-10H,1,3,11H2,(H,16,17).
What are the key properties of N-naphthalen-1-ylsulfonylpent-4-enamide?
N-naphthalen-1-ylsulfonylpent-4-enamide has a molecular weight of 289.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-ylsulfonylpent-4-enamide is sourced from PubChem (CID 99857404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).