N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylcyclohepta-2,4,6-triene-1-sulfonamide

C15H19NO2S — CID 144997367

IUPACN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylcyclohepta-2,4,6-triene-1-sulfonamide
SMILESC=C/C=C\C(=C/C)NS(=O)(=O)C1C=CC=C(C)C=C1
InChIInChI=1S/C15H19NO2S/c1-4-6-9-14(5-2)16-19(17,18)15-10-7-8-13(3)11-12-15/h4-12,15-16H,1H2,2-3H3/b9-6-,14-5+
InChIKeyQLBQKJKHDQXDTE-WSHVSDRZSA-N
MW277.39 g/mol
LogP2.99
Rot. Bonds5

About N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylcyclohepta-2,4,6-triene-1-sulfonamide

N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylcyclohepta-2,4,6-triene-1-sulfonamide (PubChem CID 144997367) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylcyclohepta-2,4,6-triene-1-sulfonamide.

Molecular Properties

Compound NameN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylcyclohepta-2,4,6-triene-1-sulfonamide
PubChem CID144997367
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylcyclohepta-2,4,6-triene-1-sulfonamide
SMILESC=C/C=C\C(=C/C)NS(=O)(=O)C1C=CC=C(C)C=C1
InChIInChI=1S/C15H19NO2S/c1-4-6-9-14(5-2)16-19(17,18)15-10-7-8-13(3)11-12-15/h4-12,15-16H,1H2,2-3H3/b9-6-,14-5+
InChIKeyQLBQKJKHDQXDTE-WSHVSDRZSA-N
XLogP2.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.99
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

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3,5-dimethyl-2H-thiazine 1,1-dioxide
CID 13628137
N-cyclohexa-1,5-dien-1-ylethanesulfonamide
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CID 88487927
(3Z)-5-methyl-5-methylsulfonylhexa-1,3-diene-2,4-diamine
CID 88582866
(3E)-3-ethylidene-4-methyl-5-[(1Z,3E,5Z)-4-methylhepta-1,3,5-trienyl]-1,2-thiazole 1,1-dioxide
CID 88941445
(2E,4Z,6E)-6-amino-2-methylocta-2,4,6-triene-1-sulfonamide
CID 89234606
N-[(3Z,5E)-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]propane-2-sulfonamide
CID 89386130
N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanesulfonamide
CID 90686521
N-[(2E,4Z)-hepta-2,4-dien-3-yl]methanesulfonamide
CID 118029939
N-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylcyclohepta-2,4,6-triene-1-sulfonamide?
The IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylcyclohepta-2,4,6-triene-1-sulfonamide (CID 144997367) is N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylcyclohepta-2,4,6-triene-1-sulfonamide.
What is the SMILES notation for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylcyclohepta-2,4,6-triene-1-sulfonamide?
The canonical SMILES for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylcyclohepta-2,4,6-triene-1-sulfonamide is C=C/C=C\C(=C/C)NS(=O)(=O)C1C=CC=C(C)C=C1.
What is the InChIKey of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylcyclohepta-2,4,6-triene-1-sulfonamide?
The InChIKey is QLBQKJKHDQXDTE-WSHVSDRZSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-4-6-9-14(5-2)16-19(17,18)15-10-7-8-13(3)11-12-15/h4-12,15-16H,1H2,2-3H3/b9-6-,14-5+.
What are the key properties of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylcyclohepta-2,4,6-triene-1-sulfonamide?
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylcyclohepta-2,4,6-triene-1-sulfonamide has a molecular weight of 277.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylcyclohepta-2,4,6-triene-1-sulfonamide is sourced from PubChem (CID 144997367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).