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

C9H15NO2S — CID 146342704

IUPAC(2E,4Z)-N-ethylhepta-2,4,6-triene-3-sulfonamide
SMILESC=C/C=C\C(=C/C)S(=O)(=O)NCC
InChIInChI=1S/C9H15NO2S/c1-4-7-8-9(5-2)13(11,12)10-6-3/h4-5,7-8,10H,1,6H2,2-3H3/b8-7-,9-5+
InChIKeyODKNJKBZTWTUIO-ISXYNVPDSA-N
MW201.29 g/mol
LogP1.57
Rot. Bonds5

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

(2E,4Z)-N-ethylhepta-2,4,6-triene-3-sulfonamide (PubChem CID 146342704) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is (2E,4Z)-N-ethylhepta-2,4,6-triene-3-sulfonamide.

Molecular Properties

Compound Name(2E,4Z)-N-ethylhepta-2,4,6-triene-3-sulfonamide
PubChem CID146342704
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name(2E,4Z)-N-ethylhepta-2,4,6-triene-3-sulfonamide
SMILESC=C/C=C\C(=C/C)S(=O)(=O)NCC
InChIInChI=1S/C9H15NO2S/c1-4-7-8-9(5-2)13(11,12)10-6-3/h4-5,7-8,10H,1,6H2,2-3H3/b8-7-,9-5+
InChIKeyODKNJKBZTWTUIO-ISXYNVPDSA-N
XLogP1.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-ethylhepta-2,4,6-triene-3-sulfonamide?
The IUPAC name of (2E,4Z)-N-ethylhepta-2,4,6-triene-3-sulfonamide (CID 146342704) is (2E,4Z)-N-ethylhepta-2,4,6-triene-3-sulfonamide.
What is the SMILES notation for (2E,4Z)-N-ethylhepta-2,4,6-triene-3-sulfonamide?
The canonical SMILES for (2E,4Z)-N-ethylhepta-2,4,6-triene-3-sulfonamide is C=C/C=C\C(=C/C)S(=O)(=O)NCC.
What is the InChIKey of (2E,4Z)-N-ethylhepta-2,4,6-triene-3-sulfonamide?
The InChIKey is ODKNJKBZTWTUIO-ISXYNVPDSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-4-7-8-9(5-2)13(11,12)10-6-3/h4-5,7-8,10H,1,6H2,2-3H3/b8-7-,9-5+.
What are the key properties of (2E,4Z)-N-ethylhepta-2,4,6-triene-3-sulfonamide?
(2E,4Z)-N-ethylhepta-2,4,6-triene-3-sulfonamide has a molecular weight of 201.29 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-ethylhepta-2,4,6-triene-3-sulfonamide is sourced from PubChem (CID 146342704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).