buta-1,3-diene-2-sulfonamide

C4H7NO2S — CID 87872050

IUPACbuta-1,3-diene-2-sulfonamide
SMILESC=CC(=C)S(N)(=O)=O
InChIInChI=1S/C4H7NO2S/c1-3-4(2)8(5,6)7/h3H,1-2H2,(H2,5,6,7)
InChIKeyAHGYUTOQLNJNOV-UHFFFAOYSA-N
MW133.17 g/mol
LogP-0.03
Rot. Bonds2

About buta-1,3-diene-2-sulfonamide

buta-1,3-diene-2-sulfonamide (PubChem CID 87872050) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is buta-1,3-diene-2-sulfonamide.

Molecular Properties

Compound Namebuta-1,3-diene-2-sulfonamide
PubChem CID87872050
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC Namebuta-1,3-diene-2-sulfonamide
SMILESC=CC(=C)S(N)(=O)=O
InChIInChI=1S/C4H7NO2S/c1-3-4(2)8(5,6)7/h3H,1-2H2,(H2,5,6,7)
InChIKeyAHGYUTOQLNJNOV-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'}

Analyze buta-1,3-diene-2-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 buta-1,3-diene-2-sulfonamide?
The IUPAC name of buta-1,3-diene-2-sulfonamide (CID 87872050) is buta-1,3-diene-2-sulfonamide.
What is the SMILES notation for buta-1,3-diene-2-sulfonamide?
The canonical SMILES for buta-1,3-diene-2-sulfonamide is C=CC(=C)S(N)(=O)=O.
What is the InChIKey of buta-1,3-diene-2-sulfonamide?
The InChIKey is AHGYUTOQLNJNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S/c1-3-4(2)8(5,6)7/h3H,1-2H2,(H2,5,6,7).
What are the key properties of buta-1,3-diene-2-sulfonamide?
buta-1,3-diene-2-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-2-sulfonamide is sourced from PubChem (CID 87872050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).