(3E,5Z)-5-ethylhepta-1,3,5-triene-4-sulfonamide

C9H15NO2S — CID 142083432

IUPAC(3E,5Z)-5-ethylhepta-1,3,5-triene-4-sulfonamide
SMILESC=C/C=C(C(=C/C)\CC)/S(N)(=O)=O
InChIInChI=1S/C9H15NO2S/c1-4-7-9(13(10,11)12)8(5-2)6-3/h4-5,7H,1,6H2,2-3H3,(H2,10,11,12)/b8-5-,9-7+
InChIKeyOFFMKYJUFCRSSD-ANVCMGODSA-N
MW201.29 g/mol
LogP1.70
Rot. Bonds4

About (3E,5Z)-5-ethylhepta-1,3,5-triene-4-sulfonamide

(3E,5Z)-5-ethylhepta-1,3,5-triene-4-sulfonamide (PubChem CID 142083432) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is (3E,5Z)-5-ethylhepta-1,3,5-triene-4-sulfonamide.

Molecular Properties

Compound Name(3E,5Z)-5-ethylhepta-1,3,5-triene-4-sulfonamide
PubChem CID142083432
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name(3E,5Z)-5-ethylhepta-1,3,5-triene-4-sulfonamide
SMILESC=C/C=C(C(=C/C)\CC)/S(N)(=O)=O
InChIInChI=1S/C9H15NO2S/c1-4-7-9(13(10,11)12)8(5-2)6-3/h4-5,7H,1,6H2,2-3H3,(H2,10,11,12)/b8-5-,9-7+
InChIKeyOFFMKYJUFCRSSD-ANVCMGODSA-N
XLogP1.70
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.70
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 (3E,5Z)-5-ethylhepta-1,3,5-triene-4-sulfonamide?
The IUPAC name of (3E,5Z)-5-ethylhepta-1,3,5-triene-4-sulfonamide (CID 142083432) is (3E,5Z)-5-ethylhepta-1,3,5-triene-4-sulfonamide.
What is the SMILES notation for (3E,5Z)-5-ethylhepta-1,3,5-triene-4-sulfonamide?
The canonical SMILES for (3E,5Z)-5-ethylhepta-1,3,5-triene-4-sulfonamide is C=C/C=C(C(=C/C)\CC)/S(N)(=O)=O.
What is the InChIKey of (3E,5Z)-5-ethylhepta-1,3,5-triene-4-sulfonamide?
The InChIKey is OFFMKYJUFCRSSD-ANVCMGODSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-4-7-9(13(10,11)12)8(5-2)6-3/h4-5,7H,1,6H2,2-3H3,(H2,10,11,12)/b8-5-,9-7+.
What are the key properties of (3E,5Z)-5-ethylhepta-1,3,5-triene-4-sulfonamide?
(3E,5Z)-5-ethylhepta-1,3,5-triene-4-sulfonamide has a molecular weight of 201.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-5-ethylhepta-1,3,5-triene-4-sulfonamide is sourced from PubChem (CID 142083432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).