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

C8H13NO2S — CID 134482835

IUPAC(3E,5Z)-N-methylhepta-1,3,5-triene-4-sulfonamide
SMILESC=C/C=C(\C=C/C)S(=O)(=O)NC
InChIInChI=1S/C8H13NO2S/c1-4-6-8(7-5-2)12(10,11)9-3/h4-7,9H,1H2,2-3H3/b7-5-,8-6+
InChIKeyQDMUSQHOOROZIS-CGXWXWIYSA-N
MW187.26 g/mol
LogP1.18
Rot. Bonds4

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

(3E,5Z)-N-methylhepta-1,3,5-triene-4-sulfonamide (PubChem CID 134482835) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is (3E,5Z)-N-methylhepta-1,3,5-triene-4-sulfonamide.

Molecular Properties

Compound Name(3E,5Z)-N-methylhepta-1,3,5-triene-4-sulfonamide
PubChem CID134482835
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name(3E,5Z)-N-methylhepta-1,3,5-triene-4-sulfonamide
SMILESC=C/C=C(\C=C/C)S(=O)(=O)NC
InChIInChI=1S/C8H13NO2S/c1-4-6-8(7-5-2)12(10,11)9-3/h4-7,9H,1H2,2-3H3/b7-5-,8-6+
InChIKeyQDMUSQHOOROZIS-CGXWXWIYSA-N
XLogP1.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.18
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)-N-methylhepta-1,3,5-triene-4-sulfonamide?
The IUPAC name of (3E,5Z)-N-methylhepta-1,3,5-triene-4-sulfonamide (CID 134482835) is (3E,5Z)-N-methylhepta-1,3,5-triene-4-sulfonamide.
What is the SMILES notation for (3E,5Z)-N-methylhepta-1,3,5-triene-4-sulfonamide?
The canonical SMILES for (3E,5Z)-N-methylhepta-1,3,5-triene-4-sulfonamide is C=C/C=C(\C=C/C)S(=O)(=O)NC.
What is the InChIKey of (3E,5Z)-N-methylhepta-1,3,5-triene-4-sulfonamide?
The InChIKey is QDMUSQHOOROZIS-CGXWXWIYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-4-6-8(7-5-2)12(10,11)9-3/h4-7,9H,1H2,2-3H3/b7-5-,8-6+.
What are the key properties of (3E,5Z)-N-methylhepta-1,3,5-triene-4-sulfonamide?
(3E,5Z)-N-methylhepta-1,3,5-triene-4-sulfonamide has a molecular weight of 187.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-methylhepta-1,3,5-triene-4-sulfonamide is sourced from PubChem (CID 134482835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).