N-[(2E,4Z)-3,5,7-trimethylocta-2,4-dien-2-yl]benzenesulfonamide

C17H25NO2S — CID 143692862

IUPACN-[(2E,4Z)-3,5,7-trimethylocta-2,4-dien-2-yl]benzenesulfonamide
SMILESC/C(=C/C(C)=C(\C)NS(=O)(=O)c1ccccc1)CC(C)C
InChIInChI=1S/C17H25NO2S/c1-13(2)11-14(3)12-15(4)16(5)18-21(19,20)17-9-7-6-8-10-17/h6-10,12-13,18H,11H2,1-5H3/b14-12-,16-15+
InChIKeyRCPNSNDXYYGTKX-NCXCNQSMSA-N
MW307.46 g/mol
LogP4.25
Rot. Bonds6

About N-[(2E,4Z)-3,5,7-trimethylocta-2,4-dien-2-yl]benzenesulfonamide

N-[(2E,4Z)-3,5,7-trimethylocta-2,4-dien-2-yl]benzenesulfonamide (PubChem CID 143692862) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[(2E,4Z)-3,5,7-trimethylocta-2,4-dien-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2E,4Z)-3,5,7-trimethylocta-2,4-dien-2-yl]benzenesulfonamide
PubChem CID143692862
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-[(2E,4Z)-3,5,7-trimethylocta-2,4-dien-2-yl]benzenesulfonamide
SMILESC/C(=C/C(C)=C(\C)NS(=O)(=O)c1ccccc1)CC(C)C
InChIInChI=1S/C17H25NO2S/c1-13(2)11-14(3)12-15(4)16(5)18-21(19,20)17-9-7-6-8-10-17/h6-10,12-13,18H,11H2,1-5H3/b14-12-,16-15+
InChIKeyRCPNSNDXYYGTKX-NCXCNQSMSA-N
XLogP4.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 54.25
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 N-[(2E,4Z)-3,5,7-trimethylocta-2,4-dien-2-yl]benzenesulfonamide?
The IUPAC name of N-[(2E,4Z)-3,5,7-trimethylocta-2,4-dien-2-yl]benzenesulfonamide (CID 143692862) is N-[(2E,4Z)-3,5,7-trimethylocta-2,4-dien-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(2E,4Z)-3,5,7-trimethylocta-2,4-dien-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(2E,4Z)-3,5,7-trimethylocta-2,4-dien-2-yl]benzenesulfonamide is C/C(=C/C(C)=C(\C)NS(=O)(=O)c1ccccc1)CC(C)C.
What is the InChIKey of N-[(2E,4Z)-3,5,7-trimethylocta-2,4-dien-2-yl]benzenesulfonamide?
The InChIKey is RCPNSNDXYYGTKX-NCXCNQSMSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-13(2)11-14(3)12-15(4)16(5)18-21(19,20)17-9-7-6-8-10-17/h6-10,12-13,18H,11H2,1-5H3/b14-12-,16-15+.
What are the key properties of N-[(2E,4Z)-3,5,7-trimethylocta-2,4-dien-2-yl]benzenesulfonamide?
N-[(2E,4Z)-3,5,7-trimethylocta-2,4-dien-2-yl]benzenesulfonamide has a molecular weight of 307.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-3,5,7-trimethylocta-2,4-dien-2-yl]benzenesulfonamide is sourced from PubChem (CID 143692862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).