4-methyl-N-naphthalen-1-yl-N-prop-2-enylbenzenesulfonamide

C20H19NO2S — CID 15621383

IUPAC4-methyl-N-naphthalen-1-yl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1cccc2ccccc12)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H19NO2S/c1-3-15-21(24(22,23)18-13-11-16(2)12-14-18)20-10-6-8-17-7-4-5-9-19(17)20/h3-14H,1,15H2,2H3
InChIKeyIDBJVGXDJHACKY-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.53
Rot. Bonds5

About 4-methyl-N-naphthalen-1-yl-N-prop-2-enylbenzenesulfonamide

4-methyl-N-naphthalen-1-yl-N-prop-2-enylbenzenesulfonamide (PubChem CID 15621383) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 4-methyl-N-naphthalen-1-yl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-naphthalen-1-yl-N-prop-2-enylbenzenesulfonamide
PubChem CID15621383
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name4-methyl-N-naphthalen-1-yl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1cccc2ccccc12)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H19NO2S/c1-3-15-21(24(22,23)18-13-11-16(2)12-14-18)20-10-6-8-17-7-4-5-9-19(17)20/h3-14H,1,15H2,2H3
InChIKeyIDBJVGXDJHACKY-UHFFFAOYSA-N
XLogP4.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-N-naphthalen-1-yl-N-prop-2-enylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

Dansylamide
CID 65077
Monodansylcadaverine
CID 4247
Dansyl chloride
CID 11801
Dansylhydrazine
CID 94442
N-Phenyl-P-toluenesulfonanilide
CID 316053
Dansyl acid
CID 1792
4-methyl-N-(naphthalen-2-yl)benzenesulfonamide
CID 224144
FluoroBora I
CID 150643
2-[3-(4-Phenyl-1,2,3,6-tetrahydro-1-pyridyl)propyl]naphtho[1,8-cd]isothiazole 1,1-dioxide
CID 14580027
Pyrrolidine, 1-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-
CID 738896
1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 2078021
2,2,4,7-Tetramethyl-1-(4-methylphenyl)sulfonylquinoline
CID 687221

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-naphthalen-1-yl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-naphthalen-1-yl-N-prop-2-enylbenzenesulfonamide (CID 15621383) is 4-methyl-N-naphthalen-1-yl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-naphthalen-1-yl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-naphthalen-1-yl-N-prop-2-enylbenzenesulfonamide is C=CCN(c1cccc2ccccc12)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-naphthalen-1-yl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is IDBJVGXDJHACKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-3-15-21(24(22,23)18-13-11-16(2)12-14-18)20-10-6-8-17-7-4-5-9-19(17)20/h3-14H,1,15H2,2H3.
What are the key properties of 4-methyl-N-naphthalen-1-yl-N-prop-2-enylbenzenesulfonamide?
4-methyl-N-naphthalen-1-yl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 337.44 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-naphthalen-1-yl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 15621383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).