(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide

C15H19NO2S — CID 139472808

IUPAC(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide
SMILESC=C/C=C\C(=C/C)NS(=O)(=O)C(/C=C\C=C)=C/C=C
InChIInChI=1S/C15H19NO2S/c1-5-9-12-14(8-4)16-19(17,18)15(11-7-3)13-10-6-2/h5-13,16H,1-3H2,4H3/b12-9-,13-10-,14-8+,15-11+
InChIKeySVYIGXBFANLWGP-ALGHBOFHSA-N
MW277.39 g/mol
LogP3.36
Rot. Bonds8

About (3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide

(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide (PubChem CID 139472808) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is (3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide.

Molecular Properties

Compound Name(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide
PubChem CID139472808
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide
SMILESC=C/C=C\C(=C/C)NS(=O)(=O)C(/C=C\C=C)=C/C=C
InChIInChI=1S/C15H19NO2S/c1-5-9-12-14(8-4)16-19(17,18)15(11-7-3)13-10-6-2/h5-13,16H,1-3H2,4H3/b12-9-,13-10-,14-8+,15-11+
InChIKeySVYIGXBFANLWGP-ALGHBOFHSA-N
XLogP3.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.36
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

ethane;1,1,1-trifluoro-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]methanesulfonamide
CID 143371256
(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylhepta-1,3,5-triene
CID 134243944
(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
CID 170401360
N-methylhepta-1,3,5-triene-4-sulfonamide
CID 123396879
(3E,5Z)-4-[(3E)-hexa-1,3,5-trien-3-yl]sulfonylocta-1,3,5,7-tetraene
CID 146621151
ethane;methyl (3E,5Z)-octa-1,3,5,7-tetraene-4-sulfonate
CID 145077139
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N'-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxamide
CID 146500777
(3E,5Z)-N-(1,3-thiazol-2-yl)octa-1,3,5,7-tetraene-4-sulfonamide
CID 129258409
4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylbenzene-1,4-dicarboxamide
CID 155183718
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]urea
CID 166820830
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
CID 129215041
ethane;[(2E,4Z)-hepta-2,4,6-trien-3-yl]hydrazine
CID 154694303

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide?
The IUPAC name of (3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide (CID 139472808) is (3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide.
What is the SMILES notation for (3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide?
The canonical SMILES for (3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide is 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-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide?
The InChIKey is SVYIGXBFANLWGP-ALGHBOFHSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-5-9-12-14(8-4)16-19(17,18)15(11-7-3)13-10-6-2/h5-13,16H,1-3H2,4H3/b12-9-,13-10-,14-8+,15-11+.
What are the key properties of (3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide?
(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide has a molecular weight of 277.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide is sourced from PubChem (CID 139472808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).