1-azulen-1-ylpropane-1-sulfonamide

C13H15NO2S — CID 141268908

IUPAC1-azulen-1-ylpropane-1-sulfonamide
SMILESCCC(c1ccc2cccccc1-2)S(N)(=O)=O
InChIInChI=1S/C13H15NO2S/c1-2-13(17(14,15)16)12-9-8-10-6-4-3-5-7-11(10)12/h3-9,13H,2H2,1H3,(H2,14,15,16)
InChIKeyOJJXXPNEKRFOOH-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.53
Rot. Bonds3

About 1-azulen-1-ylpropane-1-sulfonamide

1-azulen-1-ylpropane-1-sulfonamide (PubChem CID 141268908) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-azulen-1-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name1-azulen-1-ylpropane-1-sulfonamide
PubChem CID141268908
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name1-azulen-1-ylpropane-1-sulfonamide
SMILESCCC(c1ccc2cccccc1-2)S(N)(=O)=O
InChIInChI=1S/C13H15NO2S/c1-2-13(17(14,15)16)12-9-8-10-6-4-3-5-7-11(10)12/h3-9,13H,2H2,1H3,(H2,14,15,16)
InChIKeyOJJXXPNEKRFOOH-UHFFFAOYSA-N
XLogP2.53
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-azulen-1-ylpropane-1-sulfonamide?
The IUPAC name of 1-azulen-1-ylpropane-1-sulfonamide (CID 141268908) is 1-azulen-1-ylpropane-1-sulfonamide.
What is the SMILES notation for 1-azulen-1-ylpropane-1-sulfonamide?
The canonical SMILES for 1-azulen-1-ylpropane-1-sulfonamide is CCC(c1ccc2cccccc1-2)S(N)(=O)=O.
What is the InChIKey of 1-azulen-1-ylpropane-1-sulfonamide?
The InChIKey is OJJXXPNEKRFOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-2-13(17(14,15)16)12-9-8-10-6-4-3-5-7-11(10)12/h3-9,13H,2H2,1H3,(H2,14,15,16).
What are the key properties of 1-azulen-1-ylpropane-1-sulfonamide?
1-azulen-1-ylpropane-1-sulfonamide has a molecular weight of 249.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azulen-1-ylpropane-1-sulfonamide is sourced from PubChem (CID 141268908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).