penta-1,3-diene-1-sulfonamide

C5H9NO2S — CID 86196973

IUPACpenta-1,3-diene-1-sulfonamide
SMILESCC=CC=CS(N)(=O)=O
InChIInChI=1S/C5H9NO2S/c1-2-3-4-5-9(6,7)8/h2-5H,1H3,(H2,6,7,8)
InChIKeyXQWOQSLVKGHEBL-UHFFFAOYSA-N
MW147.20 g/mol
LogP0.36
Rot. Bonds2

About penta-1,3-diene-1-sulfonamide

penta-1,3-diene-1-sulfonamide (PubChem CID 86196973) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is penta-1,3-diene-1-sulfonamide.

Molecular Properties

Compound Namepenta-1,3-diene-1-sulfonamide
PubChem CID86196973
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Namepenta-1,3-diene-1-sulfonamide
SMILESCC=CC=CS(N)(=O)=O
InChIInChI=1S/C5H9NO2S/c1-2-3-4-5-9(6,7)8/h2-5H,1H3,(H2,6,7,8)
InChIKeyXQWOQSLVKGHEBL-UHFFFAOYSA-N
XLogP0.36
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze penta-1,3-diene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of penta-1,3-diene-1-sulfonamide?
The IUPAC name of penta-1,3-diene-1-sulfonamide (CID 86196973) is penta-1,3-diene-1-sulfonamide.
What is the SMILES notation for penta-1,3-diene-1-sulfonamide?
The canonical SMILES for penta-1,3-diene-1-sulfonamide is CC=CC=CS(N)(=O)=O.
What is the InChIKey of penta-1,3-diene-1-sulfonamide?
The InChIKey is XQWOQSLVKGHEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-2-3-4-5-9(6,7)8/h2-5H,1H3,(H2,6,7,8).
What are the key properties of penta-1,3-diene-1-sulfonamide?
penta-1,3-diene-1-sulfonamide has a molecular weight of 147.20 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for penta-1,3-diene-1-sulfonamide is sourced from PubChem (CID 86196973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).