4-pent-4-enoxynaphthalene-1-sulfonamide

C15H17NO3S — CID 82913570

IUPAC4-pent-4-enoxynaphthalene-1-sulfonamide
SMILESC=CCCCOc1ccc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C15H17NO3S/c1-2-3-6-11-19-14-9-10-15(20(16,17)18)13-8-5-4-7-12(13)14/h2,4-5,7-10H,1,3,6,11H2,(H2,16,17,18)
InChIKeyWNYLFFZZRNNYPU-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.83
Rot. Bonds6

About 4-pent-4-enoxynaphthalene-1-sulfonamide

4-pent-4-enoxynaphthalene-1-sulfonamide (PubChem CID 82913570) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-pent-4-enoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-pent-4-enoxynaphthalene-1-sulfonamide
PubChem CID82913570
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name4-pent-4-enoxynaphthalene-1-sulfonamide
SMILESC=CCCCOc1ccc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C15H17NO3S/c1-2-3-6-11-19-14-9-10-15(20(16,17)18)13-8-5-4-7-12(13)14/h2,4-5,7-10H,1,3,6,11H2,(H2,16,17,18)
InChIKeyWNYLFFZZRNNYPU-UHFFFAOYSA-N
XLogP2.83
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pent-4-enoxynaphthalene-1-sulfonamide?
The IUPAC name of 4-pent-4-enoxynaphthalene-1-sulfonamide (CID 82913570) is 4-pent-4-enoxynaphthalene-1-sulfonamide.
What is the SMILES notation for 4-pent-4-enoxynaphthalene-1-sulfonamide?
The canonical SMILES for 4-pent-4-enoxynaphthalene-1-sulfonamide is C=CCCCOc1ccc(S(N)(=O)=O)c2ccccc12.
What is the InChIKey of 4-pent-4-enoxynaphthalene-1-sulfonamide?
The InChIKey is WNYLFFZZRNNYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-2-3-6-11-19-14-9-10-15(20(16,17)18)13-8-5-4-7-12(13)14/h2,4-5,7-10H,1,3,6,11H2,(H2,16,17,18).
What are the key properties of 4-pent-4-enoxynaphthalene-1-sulfonamide?
4-pent-4-enoxynaphthalene-1-sulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pent-4-enoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 82913570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).