3-ethenyl-N-(2-naphthalen-1-yloxyethyl)benzenesulfonamide

C20H19NO3S — CID 86295230

IUPAC3-ethenyl-N-(2-naphthalen-1-yloxyethyl)benzenesulfonamide
SMILESC=Cc1cccc(S(=O)(=O)NCCOc2cccc3ccccc23)c1
InChIInChI=1S/C20H19NO3S/c1-2-16-7-5-10-18(15-16)25(22,23)21-13-14-24-20-12-6-9-17-8-3-4-11-19(17)20/h2-12,15,21H,1,13-14H2
InChIKeyYPHIRPUTIQFITI-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.84
Rot. Bonds7

About 3-ethenyl-N-(2-naphthalen-1-yloxyethyl)benzenesulfonamide

3-ethenyl-N-(2-naphthalen-1-yloxyethyl)benzenesulfonamide (PubChem CID 86295230) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 3-ethenyl-N-(2-naphthalen-1-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-ethenyl-N-(2-naphthalen-1-yloxyethyl)benzenesulfonamide
PubChem CID86295230
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name3-ethenyl-N-(2-naphthalen-1-yloxyethyl)benzenesulfonamide
SMILESC=Cc1cccc(S(=O)(=O)NCCOc2cccc3ccccc23)c1
InChIInChI=1S/C20H19NO3S/c1-2-16-7-5-10-18(15-16)25(22,23)21-13-14-24-20-12-6-9-17-8-3-4-11-19(17)20/h2-12,15,21H,1,13-14H2
InChIKeyYPHIRPUTIQFITI-UHFFFAOYSA-N
XLogP3.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethenyl-N-(2-naphthalen-1-yloxyethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N-(2-naphthalen-1-yloxyethyl)benzenesulfonamide?
The IUPAC name of 3-ethenyl-N-(2-naphthalen-1-yloxyethyl)benzenesulfonamide (CID 86295230) is 3-ethenyl-N-(2-naphthalen-1-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-ethenyl-N-(2-naphthalen-1-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 3-ethenyl-N-(2-naphthalen-1-yloxyethyl)benzenesulfonamide is C=Cc1cccc(S(=O)(=O)NCCOc2cccc3ccccc23)c1.
What is the InChIKey of 3-ethenyl-N-(2-naphthalen-1-yloxyethyl)benzenesulfonamide?
The InChIKey is YPHIRPUTIQFITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-2-16-7-5-10-18(15-16)25(22,23)21-13-14-24-20-12-6-9-17-8-3-4-11-19(17)20/h2-12,15,21H,1,13-14H2.
What are the key properties of 3-ethenyl-N-(2-naphthalen-1-yloxyethyl)benzenesulfonamide?
3-ethenyl-N-(2-naphthalen-1-yloxyethyl)benzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N-(2-naphthalen-1-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 86295230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).