(3Z)-4,7,7-trimethyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]bicyclo[2.2.1]heptane-1-carboxylic acid

C18H24N2O4S — CID 6374487

IUPAC(3Z)-4,7,7-trimethyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]bicyclo[2.2.1]heptane-1-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N/N=C2/CC3(C(=O)O)CCC2(C)C3(C)C)cc1
InChIInChI=1S/C18H24N2O4S/c1-12-5-7-13(8-6-12)25(23,24)20-19-14-11-18(15(21)22)10-9-17(14,4)16(18,2)3/h5-8,20H,9-11H2,1-4H3,(H,21,22)/b19-14-
InChIKeyJIQMYMMTJYOGTD-RGEXLXHISA-N
MW364.47 g/mol
LogP2.93
Rot. Bonds4

About (3Z)-4,7,7-trimethyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]bicyclo[2.2.1]heptane-1-carboxylic acid

(3Z)-4,7,7-trimethyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]bicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 6374487) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is (3Z)-4,7,7-trimethyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]bicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name(3Z)-4,7,7-trimethyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]bicyclo[2.2.1]heptane-1-carboxylic acid
PubChem CID6374487
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name(3Z)-4,7,7-trimethyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]bicyclo[2.2.1]heptane-1-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N/N=C2/CC3(C(=O)O)CCC2(C)C3(C)C)cc1
InChIInChI=1S/C18H24N2O4S/c1-12-5-7-13(8-6-12)25(23,24)20-19-14-11-18(15(21)22)10-9-17(14,4)16(18,2)3/h5-8,20H,9-11H2,1-4H3,(H,21,22)/b19-14-
InChIKeyJIQMYMMTJYOGTD-RGEXLXHISA-N
XLogP2.93
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3Z)-4,7,7-trimethyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]bicyclo[2.2.1]heptane-1-carboxylic acid with MolForge

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Related Compounds

(1R,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 6543970
N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
CID 59365939
N-[(E)-[(1R,4S,7R)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-4-methylbenzenesulfonamide
CID 98518220
N-[(E)-(2,2-dimethyl-4-propan-2-ylidenethietan-3-ylidene)amino]-4-methylbenzenesulfonamide
CID 134973307
N-[(E)-(2,2-dibenzylcyclohexylidene)amino]-4-methylbenzenesulfonamide
CID 10343547
4-methyl-N-[[(4S)-4-methyl-4-phenylcyclohex-2-en-1-ylidene]amino]benzenesulfonamide
CID 163067301
N-[(Z)-(4-chloro-2-bicyclo[2.2.1]heptanylidene)amino]-4-methylbenzenesulfonamide
CID 6509312
N-[(E)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]amino]-4-methylbenzenesulfonamide
CID 98513345
(1S,3Z,4S)-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
CID 98145922
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-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
dipropan-2-yl (6E)-4-hydroxy-4-methyl-6-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylcyclohexane-1,3-dicarboxylate
CID 16766012

Frequently Asked Questions

What is the IUPAC name of (3Z)-4,7,7-trimethyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]bicyclo[2.2.1]heptane-1-carboxylic acid?
The IUPAC name of (3Z)-4,7,7-trimethyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]bicyclo[2.2.1]heptane-1-carboxylic acid (CID 6374487) is (3Z)-4,7,7-trimethyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]bicyclo[2.2.1]heptane-1-carboxylic acid.
What is the SMILES notation for (3Z)-4,7,7-trimethyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]bicyclo[2.2.1]heptane-1-carboxylic acid?
The canonical SMILES for (3Z)-4,7,7-trimethyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]bicyclo[2.2.1]heptane-1-carboxylic acid is Cc1ccc(S(=O)(=O)N/N=C2/CC3(C(=O)O)CCC2(C)C3(C)C)cc1.
What is the InChIKey of (3Z)-4,7,7-trimethyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]bicyclo[2.2.1]heptane-1-carboxylic acid?
The InChIKey is JIQMYMMTJYOGTD-RGEXLXHISA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-12-5-7-13(8-6-12)25(23,24)20-19-14-11-18(15(21)22)10-9-17(14,4)16(18,2)3/h5-8,20H,9-11H2,1-4H3,(H,21,22)/b19-14-.
What are the key properties of (3Z)-4,7,7-trimethyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]bicyclo[2.2.1]heptane-1-carboxylic acid?
(3Z)-4,7,7-trimethyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]bicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 364.47 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4,7,7-trimethyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]bicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 6374487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).