methyl 4-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydro-1H-naphthalene-2-carboxylate

C19H20N2O4S — CID 4597154

IUPACmethyl 4-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydro-1H-naphthalene-2-carboxylate
SMILESCOC(=O)C1CC(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1
InChIInChI=1S/C19H20N2O4S/c1-13-7-9-16(10-8-13)26(23,24)21-20-18-12-15(19(22)25-2)11-14-5-3-4-6-17(14)18/h3-10,15,21H,11-12H2,1-2H3
InChIKeyGGSGBNVVRSNKAC-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.41
Rot. Bonds4

About methyl 4-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydro-1H-naphthalene-2-carboxylate

methyl 4-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydro-1H-naphthalene-2-carboxylate (PubChem CID 4597154) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is methyl 4-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydro-1H-naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydro-1H-naphthalene-2-carboxylate
PubChem CID4597154
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Namemethyl 4-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydro-1H-naphthalene-2-carboxylate
SMILESCOC(=O)C1CC(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1
InChIInChI=1S/C19H20N2O4S/c1-13-7-9-16(10-8-13)26(23,24)21-20-18-12-15(19(22)25-2)11-14-5-3-4-6-17(14)18/h3-10,15,21H,11-12H2,1-2H3
InChIKeyGGSGBNVVRSNKAC-UHFFFAOYSA-N
XLogP2.41
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (4E)-4-[(4-methylphenyl)sulfonylhydrazinylidene]-6,7-dihydro-5H-1-benzothiophene-6-carboxylate
CID 6391221
ethyl 3-[(4-methylphenyl)sulfonylhydrazinylidene]bicyclo[3.1.0]hexane-6-carboxylate
CID 151349571
methyl 3-(4-methylphenyl)sulfonylcyclobutane-1-carboxylate
CID 66868655
4-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide
CID 5432349
N-[(E)-(2-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide
CID 177496212
N-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide
CID 169258244
N-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide
CID 129395280
dipropan-2-yl (6E)-4-hydroxy-4-methyl-6-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylcyclohexane-1,3-dicarboxylate
CID 16766012
N-[[3-[dideuterio(phenylmethoxy)methyl]cyclobutylidene]amino]-4-methylbenzenesulfonamide
CID 177250959
N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide
CID 6390629
4-methyl-N-[[(1S,4R,6S,9R)-12-[(4-methylphenyl)sulfonylhydrazinylidene]-5-tetracyclo[7.2.1.04,11.06,10]dodecanylidene]amino]benzenesulfonamide
CID 125034492
4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
CID 3540750

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydro-1H-naphthalene-2-carboxylate?
The IUPAC name of methyl 4-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydro-1H-naphthalene-2-carboxylate (CID 4597154) is methyl 4-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydro-1H-naphthalene-2-carboxylate.
What is the SMILES notation for methyl 4-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydro-1H-naphthalene-2-carboxylate?
The canonical SMILES for methyl 4-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydro-1H-naphthalene-2-carboxylate is COC(=O)C1CC(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1.
What is the InChIKey of methyl 4-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydro-1H-naphthalene-2-carboxylate?
The InChIKey is GGSGBNVVRSNKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-13-7-9-16(10-8-13)26(23,24)21-20-18-12-15(19(22)25-2)11-14-5-3-4-6-17(14)18/h3-10,15,21H,11-12H2,1-2H3.
What are the key properties of methyl 4-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydro-1H-naphthalene-2-carboxylate?
methyl 4-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydro-1H-naphthalene-2-carboxylate has a molecular weight of 372.45 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydro-1H-naphthalene-2-carboxylate is sourced from PubChem (CID 4597154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).