4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide

C14H16N2O2S — CID 54601490

IUPAC4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2/C3CC4C(C3)C24)cc1
InChIInChI=1S/C14H16N2O2S/c1-8-2-4-10(5-3-8)19(17,18)16-15-14-9-6-11-12(7-9)13(11)14/h2-5,9,11-13,16H,6-7H2,1H3/b15-14-
InChIKeyJCAGZAQDIRUDJB-PFONDFGASA-N
MW276.36 g/mol
LogP1.92
Rot. Bonds3

About 4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide

4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide (PubChem CID 54601490) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide
PubChem CID54601490
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2/C3CC4C(C3)C24)cc1
InChIInChI=1S/C14H16N2O2S/c1-8-2-4-10(5-3-8)19(17,18)16-15-14-9-6-11-12(7-9)13(11)14/h2-5,9,11-13,16H,6-7H2,1H3/b15-14-
InChIKeyJCAGZAQDIRUDJB-PFONDFGASA-N
XLogP1.92
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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-[[(1R,4R,6S,9S)-12-[(4-methylphenyl)sulfonylhydrazinylidene]-5-tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-dienylidene]amino]benzenesulfonamide
CID 98164119
N-[[(2S,6R)-4-tert-butyl-2,6-dimethylcyclohexylidene]amino]-4-methylbenzenesulfonamide
CID 92541840
N-[(Z)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide
CID 5465867
N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide
CID 5468231
4-methyl-N-[(E)-3-tricyclo[3.3.1.02,8]non-6-enylideneamino]benzenesulfonamide
CID 13113777
4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
CID 3540750
N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
CID 59365939
4-methyl-N-[(Z)-[(1S,2R,6S,7R)-8-tricyclo[5.2.1.02,6]decanylidene]amino]benzenesulfonamide
CID 98405958
4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide
CID 6162685
N-[[6-hydroxy-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.3.1]nonan-9-ylidene]amino]-4-methylbenzenesulfonamide
CID 59902657
N-[(E)-[(1R,7S)-2-bicyclo[5.1.0]octanylidene]amino]-4-methylbenzenesulfonamide
CID 6860198

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide (CID 54601490) is 4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C2/C3CC4C(C3)C24)cc1.
What is the InChIKey of 4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide?
The InChIKey is JCAGZAQDIRUDJB-PFONDFGASA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-8-2-4-10(5-3-8)19(17,18)16-15-14-9-6-11-12(7-9)13(11)14/h2-5,9,11-13,16H,6-7H2,1H3/b15-14-.
What are the key properties of 4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide?
4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide has a molecular weight of 276.36 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide is sourced from PubChem (CID 54601490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).