3-methylidene-1-(4-methylphenyl)sulfonyl-5-(4-nitrophenyl)-2,4-dihydropyridine

C19H18N2O4S — CID 132937584

IUPAC3-methylidene-1-(4-methylphenyl)sulfonyl-5-(4-nitrophenyl)-2,4-dihydropyridine
SMILESC=C1CC(c2ccc([N+](=O)[O-])cc2)=CN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C19H18N2O4S/c1-14-3-9-19(10-4-14)26(24,25)20-12-15(2)11-17(13-20)16-5-7-18(8-6-16)21(22)23/h3-10,13H,2,11-12H2,1H3
InChIKeyNGDJORKCWNXORZ-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.89
Rot. Bonds4

About 3-methylidene-1-(4-methylphenyl)sulfonyl-5-(4-nitrophenyl)-2,4-dihydropyridine

3-methylidene-1-(4-methylphenyl)sulfonyl-5-(4-nitrophenyl)-2,4-dihydropyridine (PubChem CID 132937584) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-methylidene-1-(4-methylphenyl)sulfonyl-5-(4-nitrophenyl)-2,4-dihydropyridine.

Molecular Properties

Compound Name3-methylidene-1-(4-methylphenyl)sulfonyl-5-(4-nitrophenyl)-2,4-dihydropyridine
PubChem CID132937584
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name3-methylidene-1-(4-methylphenyl)sulfonyl-5-(4-nitrophenyl)-2,4-dihydropyridine
SMILESC=C1CC(c2ccc([N+](=O)[O-])cc2)=CN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C19H18N2O4S/c1-14-3-9-19(10-4-14)26(24,25)20-12-15(2)11-17(13-20)16-5-7-18(8-6-16)21(22)23/h3-10,13H,2,11-12H2,1H3
InChIKeyNGDJORKCWNXORZ-UHFFFAOYSA-N
XLogP3.89
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-methylidene-1-(4-methylphenyl)sulfonyl-5-(4-nitrophenyl)-2,4-dihydropyridine 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

3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 14174967
3-methylidene-1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylethenyl]-2,4-dihydropyridine
CID 132937595
1-(4-methylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 154576516
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
1-(4-methylphenyl)sulfonyl-4-(4-nitrophenyl)piperazin-4-ium chloride
CID 20786981
1-methyl-4-nitrobenzene;molecular nitrogen
CID 175124528
(2S,3R)-1-(4-methylphenyl)sulfonyl-2-(4-nitrophenyl)-3-phenylaziridine
CID 101340781
1-tert-butylsulfonyl-4-methylbenzene;1-tert-butylsulfonyl-4-nitrobenzene
CID 159921460
(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)aziridine
CID 11617134
3-methylidene-1-(4-nitrophenyl)sulfonyl-4-prop-1-en-2-ylpyrrolidine
CID 44597999
1-(4-nitrophenyl)sulfonyl-5-phenyl-3,6-dihydro-2H-pyridine
CID 101053011
1-(2,5-dimethylphenyl)sulfonyl-4-(4-nitrophenyl)sulfonylpiperazine
CID 17301230

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(4-methylphenyl)sulfonyl-5-(4-nitrophenyl)-2,4-dihydropyridine?
The IUPAC name of 3-methylidene-1-(4-methylphenyl)sulfonyl-5-(4-nitrophenyl)-2,4-dihydropyridine (CID 132937584) is 3-methylidene-1-(4-methylphenyl)sulfonyl-5-(4-nitrophenyl)-2,4-dihydropyridine.
What is the SMILES notation for 3-methylidene-1-(4-methylphenyl)sulfonyl-5-(4-nitrophenyl)-2,4-dihydropyridine?
The canonical SMILES for 3-methylidene-1-(4-methylphenyl)sulfonyl-5-(4-nitrophenyl)-2,4-dihydropyridine is C=C1CC(c2ccc([N+](=O)[O-])cc2)=CN(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of 3-methylidene-1-(4-methylphenyl)sulfonyl-5-(4-nitrophenyl)-2,4-dihydropyridine?
The InChIKey is NGDJORKCWNXORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-14-3-9-19(10-4-14)26(24,25)20-12-15(2)11-17(13-20)16-5-7-18(8-6-16)21(22)23/h3-10,13H,2,11-12H2,1H3.
What are the key properties of 3-methylidene-1-(4-methylphenyl)sulfonyl-5-(4-nitrophenyl)-2,4-dihydropyridine?
3-methylidene-1-(4-methylphenyl)sulfonyl-5-(4-nitrophenyl)-2,4-dihydropyridine has a molecular weight of 370.43 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(4-methylphenyl)sulfonyl-5-(4-nitrophenyl)-2,4-dihydropyridine is sourced from PubChem (CID 132937584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).