N,N-diethylhexa-2,4-diene-3-sulfonamide

C10H19NO2S — CID 90842949

IUPACN,N-diethylhexa-2,4-diene-3-sulfonamide
SMILESCC=CC(=CC)S(=O)(=O)N(CC)CC
InChIInChI=1S/C10H19NO2S/c1-5-9-10(6-2)14(12,13)11(7-3)8-4/h5-6,9H,7-8H2,1-4H3
InChIKeyZESSJNCCPKLAFL-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.14
Rot. Bonds5

About N,N-diethylhexa-2,4-diene-3-sulfonamide

N,N-diethylhexa-2,4-diene-3-sulfonamide (PubChem CID 90842949) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N,N-diethylhexa-2,4-diene-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethylhexa-2,4-diene-3-sulfonamide
PubChem CID90842949
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN,N-diethylhexa-2,4-diene-3-sulfonamide
SMILESCC=CC(=CC)S(=O)(=O)N(CC)CC
InChIInChI=1S/C10H19NO2S/c1-5-9-10(6-2)14(12,13)11(7-3)8-4/h5-6,9H,7-8H2,1-4H3
InChIKeyZESSJNCCPKLAFL-UHFFFAOYSA-N
XLogP2.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
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 N,N-diethylhexa-2,4-diene-3-sulfonamide?
The IUPAC name of N,N-diethylhexa-2,4-diene-3-sulfonamide (CID 90842949) is N,N-diethylhexa-2,4-diene-3-sulfonamide.
What is the SMILES notation for N,N-diethylhexa-2,4-diene-3-sulfonamide?
The canonical SMILES for N,N-diethylhexa-2,4-diene-3-sulfonamide is CC=CC(=CC)S(=O)(=O)N(CC)CC.
What is the InChIKey of N,N-diethylhexa-2,4-diene-3-sulfonamide?
The InChIKey is ZESSJNCCPKLAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-5-9-10(6-2)14(12,13)11(7-3)8-4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of N,N-diethylhexa-2,4-diene-3-sulfonamide?
N,N-diethylhexa-2,4-diene-3-sulfonamide has a molecular weight of 217.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylhexa-2,4-diene-3-sulfonamide is sourced from PubChem (CID 90842949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).