(3Z)-5-methylhexa-1,3,5-triene-2-sulfonamide

C7H11NO2S — CID 89302720

IUPAC(3Z)-5-methylhexa-1,3,5-triene-2-sulfonamide
SMILESC=C(C)/C=C\C(=C)S(N)(=O)=O
InChIInChI=1S/C7H11NO2S/c1-6(2)4-5-7(3)11(8,9)10/h4-5H,1,3H2,2H3,(H2,8,9,10)/b5-4-
InChIKeyUFUGPQJCIMZESV-PLNGDYQASA-N
MW173.24 g/mol
LogP0.92
Rot. Bonds3

About (3Z)-5-methylhexa-1,3,5-triene-2-sulfonamide

(3Z)-5-methylhexa-1,3,5-triene-2-sulfonamide (PubChem CID 89302720) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is (3Z)-5-methylhexa-1,3,5-triene-2-sulfonamide.

Molecular Properties

Compound Name(3Z)-5-methylhexa-1,3,5-triene-2-sulfonamide
PubChem CID89302720
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name(3Z)-5-methylhexa-1,3,5-triene-2-sulfonamide
SMILESC=C(C)/C=C\C(=C)S(N)(=O)=O
InChIInChI=1S/C7H11NO2S/c1-6(2)4-5-7(3)11(8,9)10/h4-5H,1,3H2,2H3,(H2,8,9,10)/b5-4-
InChIKeyUFUGPQJCIMZESV-PLNGDYQASA-N
XLogP0.92
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.92
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 (3Z)-5-methylhexa-1,3,5-triene-2-sulfonamide?
The IUPAC name of (3Z)-5-methylhexa-1,3,5-triene-2-sulfonamide (CID 89302720) is (3Z)-5-methylhexa-1,3,5-triene-2-sulfonamide.
What is the SMILES notation for (3Z)-5-methylhexa-1,3,5-triene-2-sulfonamide?
The canonical SMILES for (3Z)-5-methylhexa-1,3,5-triene-2-sulfonamide is C=C(C)/C=C\C(=C)S(N)(=O)=O.
What is the InChIKey of (3Z)-5-methylhexa-1,3,5-triene-2-sulfonamide?
The InChIKey is UFUGPQJCIMZESV-PLNGDYQASA-N. The full InChI is InChI=1S/C7H11NO2S/c1-6(2)4-5-7(3)11(8,9)10/h4-5H,1,3H2,2H3,(H2,8,9,10)/b5-4-.
What are the key properties of (3Z)-5-methylhexa-1,3,5-triene-2-sulfonamide?
(3Z)-5-methylhexa-1,3,5-triene-2-sulfonamide has a molecular weight of 173.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methylhexa-1,3,5-triene-2-sulfonamide is sourced from PubChem (CID 89302720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).