4-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzenesulfonamide

C20H23NO2S — CID 708035

IUPAC4-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzenesulfonamide
SMILESC=CCC(CC=C)(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H23NO2S/c1-4-15-20(16-5-2,18-9-7-6-8-10-18)21-24(22,23)19-13-11-17(3)12-14-19/h4-14,21H,1-2,15-16H2,3H3
InChIKeyZLDRHCHBRMLPGQ-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.32
Rot. Bonds8

About 4-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzenesulfonamide

4-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzenesulfonamide (PubChem CID 708035) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 4-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzenesulfonamide
PubChem CID708035
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name4-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzenesulfonamide
SMILESC=CCC(CC=C)(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H23NO2S/c1-4-15-20(16-5-2,18-9-7-6-8-10-18)21-24(22,23)19-13-11-17(3)12-14-19/h4-14,21H,1-2,15-16H2,3H3
InChIKeyZLDRHCHBRMLPGQ-UHFFFAOYSA-N
XLogP4.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzenesulfonamide (CID 708035) is 4-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzenesulfonamide is C=CCC(CC=C)(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 4-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzenesulfonamide?
The InChIKey is ZLDRHCHBRMLPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-4-15-20(16-5-2,18-9-7-6-8-10-18)21-24(22,23)19-13-11-17(3)12-14-19/h4-14,21H,1-2,15-16H2,3H3.
What are the key properties of 4-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzenesulfonamide?
4-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzenesulfonamide has a molecular weight of 341.48 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzenesulfonamide is sourced from PubChem (CID 708035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).