(NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide

C19H19NO2S2 — CID 15973622

IUPAC(NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=S(\C)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C19H19NO2S2/c1-15-10-12-18(13-11-15)24(21,22)20-23(2)14-17-8-5-7-16-6-3-4-9-19(16)17/h3-13H,14H2,1-2H3
InChIKeyVZOVCLCJHYGUJB-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.47
Rot. Bonds4

About (NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide

(NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide (PubChem CID 15973622) has the molecular formula C19H19NO2S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide
PubChem CID15973622
Molecular FormulaC19H19NO2S2
Molecular Weight357.50 g/mol
Exact Mass357.09
IUPAC Name(NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=S(\C)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C19H19NO2S2/c1-15-10-12-18(13-11-15)24(21,22)20-23(2)14-17-8-5-7-16-6-3-4-9-19(16)17/h3-13H,14H2,1-2H3
InChIKeyVZOVCLCJHYGUJB-UHFFFAOYSA-N
XLogP4.47
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide 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

(NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 6436773
(NE)-N-[(2,2-dichlorocyclopropyl)methyl-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 46500093
N-[(2-bromophenyl)-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 85398945
N,4-dimethyl-N-[2-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 27681328
4-methyl-N-[phenyl-[(E)-prop-1-enyl]-λ4-sulfanylidene]benzenesulfonamide
CID 92533909
1-(4-methylphenyl)sulfonyl-3-(naphthalen-1-ylmethyl)imidazol-2-one
CID 8594078
1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one
CID 82185648
(NZ)-4-methyl-N-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]benzenesulfonamide
CID 139236527
(Z)-5-bromo-6-(4-methylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)hex-5-enamide
CID 100947611
1-ethyl-7-methylnaphthalene
CID 12778771
1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene
CID 142146166
(4-ethylisoquinolin-2-ium-2-yl)-(4-methylphenyl)sulfonylazanide
CID 134913386

Frequently Asked Questions

What is the IUPAC name of (NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide?
The IUPAC name of (NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide (CID 15973622) is (NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide?
The canonical SMILES for (NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=S(\C)Cc2cccc3ccccc23)cc1.
What is the InChIKey of (NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide?
The InChIKey is VZOVCLCJHYGUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S2/c1-15-10-12-18(13-11-15)24(21,22)20-23(2)14-17-8-5-7-16-6-3-4-9-19(16)17/h3-13H,14H2,1-2H3.
What are the key properties of (NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide?
(NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide has a molecular weight of 357.50 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide is sourced from PubChem (CID 15973622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).