buta-1,3-diene-1-sulfonamide;yttrium

C4H5NO2SY-2 — CID 59973002

IUPACbuta-1,3-diene-1-sulfonamide;yttrium
SMILES[H]/[C-]=C/C=[C-]/S(N)(=O)=O.[Y]
InChIInChI=1S/C4H5NO2S.Y/c1-2-3-4-8(5,6)7;/h1-3H,(H2,5,6,7);/q-2;
InChIKeyFFDCSQWINQMVKN-UHFFFAOYSA-N
MW220.06 g/mol
LogP-0.42
Rot. Bonds2

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

buta-1,3-diene-1-sulfonamide;yttrium (PubChem CID 59973002) has the molecular formula C4H5NO2SY-2 and a molecular weight of 220.06 g/mol. Its IUPAC name is buta-1,3-diene-1-sulfonamide;yttrium.

Molecular Properties

Compound Namebuta-1,3-diene-1-sulfonamide;yttrium
PubChem CID59973002
Molecular FormulaC4H5NO2SY-2
Molecular Weight220.06 g/mol
Exact Mass219.91
IUPAC Namebuta-1,3-diene-1-sulfonamide;yttrium
SMILES[H]/[C-]=C/C=[C-]/S(N)(=O)=O.[Y]
InChIInChI=1S/C4H5NO2S.Y/c1-2-3-4-8(5,6)7;/h1-3H,(H2,5,6,7);/q-2;
InChIKeyFFDCSQWINQMVKN-UHFFFAOYSA-N
XLogP-0.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze buta-1,3-diene-1-sulfonamide;yttrium with MolForge

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

Launch Full Analysis

Related Compounds

1,3-Butadiene sulfonamide
CID 20701452
Buta-1,3-diene-1-sulfonamide;pentakis(yttrium)
CID 60081432
Buta-1,3-diene-2-sulfonamide
CID 87872050
(1E)-buta-1,3-diene-1-sulfonamide
CID 89785850
(1Z)-buta-1,3-diene-1-sulfonamide
CID 137699060

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene-1-sulfonamide;yttrium?
The IUPAC name of buta-1,3-diene-1-sulfonamide;yttrium (CID 59973002) is buta-1,3-diene-1-sulfonamide;yttrium.
What is the SMILES notation for buta-1,3-diene-1-sulfonamide;yttrium?
The canonical SMILES for buta-1,3-diene-1-sulfonamide;yttrium is [H]/[C-]=C/C=[C-]/S(N)(=O)=O.[Y].
What is the InChIKey of buta-1,3-diene-1-sulfonamide;yttrium?
The InChIKey is FFDCSQWINQMVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S.Y/c1-2-3-4-8(5,6)7;/h1-3H,(H2,5,6,7);/q-2;.
What are the key properties of buta-1,3-diene-1-sulfonamide;yttrium?
buta-1,3-diene-1-sulfonamide;yttrium has a molecular weight of 220.06 g/mol, XLogP of -0.42, 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;yttrium is sourced from PubChem (CID 59973002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).