buta-1,3-diene-1-sulfonamide

C4H7NO2S — CID 20701452

IUPACbuta-1,3-diene-1-sulfonamide
SMILESC=CC=CS(N)(=O)=O
InChIInChI=1S/C4H7NO2S/c1-2-3-4-8(5,6)7/h2-4H,1H2,(H2,5,6,7)
InChIKeyJOJDOXHITUMECT-UHFFFAOYSA-N
MW133.17 g/mol
LogP-0.03
Rot. Bonds2

About buta-1,3-diene-1-sulfonamide

buta-1,3-diene-1-sulfonamide (PubChem CID 20701452) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is buta-1,3-diene-1-sulfonamide.

Molecular Properties

Compound Namebuta-1,3-diene-1-sulfonamide
PubChem CID20701452
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC Namebuta-1,3-diene-1-sulfonamide
SMILESC=CC=CS(N)(=O)=O
InChIInChI=1S/C4H7NO2S/c1-2-3-4-8(5,6)7/h2-4H,1H2,(H2,5,6,7)
InChIKeyJOJDOXHITUMECT-UHFFFAOYSA-N
XLogP-0.03
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Prop-2-ene-1-sulfonamide
CID 14028213
(E)-prop-1-ene-1-sulfonamide
CID 22750950
Propenylsulfonamide
CID 57179768
Penta-1,3-diene-1-sulfonamide
CID 86196973
Buta-1,3-diene-1-sulfonamide;yttrium
CID 59973002
Buta-1,3-diene-1-sulfonamide;pentakis(yttrium)
CID 60081432
Buta-1,3-diene-1-sulfinate
CID 74039967
CID 76223068
CID 76223068
Buta-1,3-diene-2-sulfonamide
CID 87872050
N-prop-2-enylsulfanylprop-2-ene-1-sulfonamide
CID 87988353
N-sulfanylprop-2-ene-1-sulfonamide
CID 88743886
Lithium prop-2-enylsulfonylazanide
CID 88767594

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene-1-sulfonamide?
The IUPAC name of buta-1,3-diene-1-sulfonamide (CID 20701452) is buta-1,3-diene-1-sulfonamide.
What is the SMILES notation for buta-1,3-diene-1-sulfonamide?
The canonical SMILES for buta-1,3-diene-1-sulfonamide is C=CC=CS(N)(=O)=O.
What is the InChIKey of buta-1,3-diene-1-sulfonamide?
The InChIKey is JOJDOXHITUMECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S/c1-2-3-4-8(5,6)7/h2-4H,1H2,(H2,5,6,7).
What are the key properties of buta-1,3-diene-1-sulfonamide?
buta-1,3-diene-1-sulfonamide has a molecular weight of 133.17 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene-1-sulfonamide is sourced from PubChem (CID 20701452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).