penta-1,4-diene-1-sulfonamide

C5H9NO2S — CID 174872703

IUPACpenta-1,4-diene-1-sulfonamide
SMILESC=CCC=CS(N)(=O)=O
InChIInChI=1S/C5H9NO2S/c1-2-3-4-5-9(6,7)8/h2,4-5H,1,3H2,(H2,6,7,8)
InChIKeyWTHOYYOCUSGZBL-UHFFFAOYSA-N
MW147.20 g/mol
LogP0.36
Rot. Bonds3

About penta-1,4-diene-1-sulfonamide

penta-1,4-diene-1-sulfonamide (PubChem CID 174872703) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is penta-1,4-diene-1-sulfonamide.

Molecular Properties

Compound Namepenta-1,4-diene-1-sulfonamide
PubChem CID174872703
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Namepenta-1,4-diene-1-sulfonamide
SMILESC=CCC=CS(N)(=O)=O
InChIInChI=1S/C5H9NO2S/c1-2-3-4-5-9(6,7)8/h2,4-5H,1,3H2,(H2,6,7,8)
InChIKeyWTHOYYOCUSGZBL-UHFFFAOYSA-N
XLogP0.36
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-penta-1,4-dienylsulfonylpenta-1,4-diene
CID 173151693
3-aminoprop-1-ene-1-sulfonamide
CID 87526420
ethenesulfonamide
CID 520075
chloromethane;prop-2-ene-1-sulfonamide
CID 174937700
(1E)-1-fluoropenta-1,4-diene
CID 87196328
hexa-1,4-diene
CID 163631115
(2Z)-hexa-2,5-dien-1-one;yttrium
CID 59997179
(2E)-hexa-2,5-dien-1-one;yttrium(3+)
CID 20773911
hydroxy hydrogen sulfate;penta-1,4-diene
CID 174393320
6-iodohexa-1,4-diene
CID 73158271
hexa-1,4-diene;hydrate
CID 162019515
N-[(1E)-penta-1,4-dienyl]formamide
CID 143527082

Frequently Asked Questions

What is the IUPAC name of penta-1,4-diene-1-sulfonamide?
The IUPAC name of penta-1,4-diene-1-sulfonamide (CID 174872703) is penta-1,4-diene-1-sulfonamide.
What is the SMILES notation for penta-1,4-diene-1-sulfonamide?
The canonical SMILES for penta-1,4-diene-1-sulfonamide is C=CCC=CS(N)(=O)=O.
What is the InChIKey of penta-1,4-diene-1-sulfonamide?
The InChIKey is WTHOYYOCUSGZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-2-3-4-5-9(6,7)8/h2,4-5H,1,3H2,(H2,6,7,8).
What are the key properties of penta-1,4-diene-1-sulfonamide?
penta-1,4-diene-1-sulfonamide has a molecular weight of 147.20 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for penta-1,4-diene-1-sulfonamide is sourced from PubChem (CID 174872703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).