(3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide

C16H19NO2S — CID 134250636

IUPAC(3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide
SMILESC=C/C=C\C=C(/C=C)NS(=O)(=O)/C(C=C)=C/C=C\C=C
InChIInChI=1S/C16H19NO2S/c1-5-9-11-13-15(7-3)17-20(18,19)16(8-4)14-12-10-6-2/h5-14,17H,1-4H2/b11-9-,12-10-,15-13+,16-14+
InChIKeyFBCWZKHBVFEWOV-PORRXPHMSA-N
MW289.40 g/mol
LogP3.53
Rot. Bonds9

About (3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide

(3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide (PubChem CID 134250636) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is (3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide.

Molecular Properties

Compound Name(3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide
PubChem CID134250636
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name(3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide
SMILESC=C/C=C\C=C(/C=C)NS(=O)(=O)/C(C=C)=C/C=C\C=C
InChIInChI=1S/C16H19NO2S/c1-5-9-11-13-15(7-3)17-20(18,19)16(8-4)14-12-10-6-2/h5-14,17H,1-4H2/b11-9-,12-10-,15-13+,16-14+
InChIKeyFBCWZKHBVFEWOV-PORRXPHMSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]octa-1,3,5,7-tetraene-3-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 (3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide?
The IUPAC name of (3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide (CID 134250636) is (3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide.
What is the SMILES notation for (3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide?
The canonical SMILES for (3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide is C=C/C=C\C=C(/C=C)NS(=O)(=O)/C(C=C)=C/C=C\C=C.
What is the InChIKey of (3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide?
The InChIKey is FBCWZKHBVFEWOV-PORRXPHMSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-5-9-11-13-15(7-3)17-20(18,19)16(8-4)14-12-10-6-2/h5-14,17H,1-4H2/b11-9-,12-10-,15-13+,16-14+.
What are the key properties of (3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide?
(3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide has a molecular weight of 289.40 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide is sourced from PubChem (CID 134250636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).