(2E,4Z)-N-prop-2-enylhepta-2,4,6-triene-3-sulfonamide

C10H15NO2S — CID 89342954

IUPAC(2E,4Z)-N-prop-2-enylhepta-2,4,6-triene-3-sulfonamide
SMILESC=C/C=C\C(=C/C)S(=O)(=O)NCC=C
InChIInChI=1S/C10H15NO2S/c1-4-7-8-10(6-3)14(12,13)11-9-5-2/h4-8,11H,1-2,9H2,3H3/b8-7-,10-6+
InChIKeyZRZXSBOHWQKNPG-SDHBEMGISA-N
MW213.30 g/mol
LogP1.74
Rot. Bonds6

About (2E,4Z)-N-prop-2-enylhepta-2,4,6-triene-3-sulfonamide

(2E,4Z)-N-prop-2-enylhepta-2,4,6-triene-3-sulfonamide (PubChem CID 89342954) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (2E,4Z)-N-prop-2-enylhepta-2,4,6-triene-3-sulfonamide.

Molecular Properties

Compound Name(2E,4Z)-N-prop-2-enylhepta-2,4,6-triene-3-sulfonamide
PubChem CID89342954
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(2E,4Z)-N-prop-2-enylhepta-2,4,6-triene-3-sulfonamide
SMILESC=C/C=C\C(=C/C)S(=O)(=O)NCC=C
InChIInChI=1S/C10H15NO2S/c1-4-7-8-10(6-3)14(12,13)11-9-5-2/h4-8,11H,1-2,9H2,3H3/b8-7-,10-6+
InChIKeyZRZXSBOHWQKNPG-SDHBEMGISA-N
XLogP1.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-prop-2-enylhepta-2,4,6-triene-3-sulfonamide?
The IUPAC name of (2E,4Z)-N-prop-2-enylhepta-2,4,6-triene-3-sulfonamide (CID 89342954) is (2E,4Z)-N-prop-2-enylhepta-2,4,6-triene-3-sulfonamide.
What is the SMILES notation for (2E,4Z)-N-prop-2-enylhepta-2,4,6-triene-3-sulfonamide?
The canonical SMILES for (2E,4Z)-N-prop-2-enylhepta-2,4,6-triene-3-sulfonamide is C=C/C=C\C(=C/C)S(=O)(=O)NCC=C.
What is the InChIKey of (2E,4Z)-N-prop-2-enylhepta-2,4,6-triene-3-sulfonamide?
The InChIKey is ZRZXSBOHWQKNPG-SDHBEMGISA-N. The full InChI is InChI=1S/C10H15NO2S/c1-4-7-8-10(6-3)14(12,13)11-9-5-2/h4-8,11H,1-2,9H2,3H3/b8-7-,10-6+.
What are the key properties of (2E,4Z)-N-prop-2-enylhepta-2,4,6-triene-3-sulfonamide?
(2E,4Z)-N-prop-2-enylhepta-2,4,6-triene-3-sulfonamide has a molecular weight of 213.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-prop-2-enylhepta-2,4,6-triene-3-sulfonamide is sourced from PubChem (CID 89342954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).