4-methyl-N-[(E)-3-tricyclo[3.3.1.02,8]non-6-enylideneamino]benzenesulfonamide

C16H18N2O2S — CID 13113777

IUPAC4-methyl-N-[(E)-3-tricyclo[3.3.1.02,8]non-6-enylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2\CC3C=CC4C(C3)C24)cc1
InChIInChI=1S/C16H18N2O2S/c1-10-2-5-12(6-3-10)21(19,20)18-17-15-9-11-4-7-13-14(8-11)16(13)15/h2-7,11,13-14,16,18H,8-9H2,1H3/b17-15+
InChIKeyZEBZNHITEUIOFO-BMRADRMJSA-N
MW302.40 g/mol
LogP2.47
Rot. Bonds3

About 4-methyl-N-[(E)-3-tricyclo[3.3.1.02,8]non-6-enylideneamino]benzenesulfonamide

4-methyl-N-[(E)-3-tricyclo[3.3.1.02,8]non-6-enylideneamino]benzenesulfonamide (PubChem CID 13113777) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-methyl-N-[(E)-3-tricyclo[3.3.1.02,8]non-6-enylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-3-tricyclo[3.3.1.02,8]non-6-enylideneamino]benzenesulfonamide
PubChem CID13113777
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4-methyl-N-[(E)-3-tricyclo[3.3.1.02,8]non-6-enylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2\CC3C=CC4C(C3)C24)cc1
InChIInChI=1S/C16H18N2O2S/c1-10-2-5-12(6-3-10)21(19,20)18-17-15-9-11-4-7-13-14(8-11)16(13)15/h2-7,11,13-14,16,18H,8-9H2,1H3/b17-15+
InChIKeyZEBZNHITEUIOFO-BMRADRMJSA-N
XLogP2.47
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(Z)-[(1R,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide
CID 18389547
4-methyl-N-[(E)-[(1S,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide
CID 124772488
4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide
CID 54601490
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-[(Z)-[(1S,2R,6S,7R)-8-tricyclo[5.2.1.02,6]decanylidene]amino]benzenesulfonamide
CID 98405958
N-[(E)-[(1R,7S)-2-bicyclo[5.1.0]octanylidene]amino]-4-methylbenzenesulfonamide
CID 6860198
N-[(E)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]amino]-4-methylbenzenesulfonamide
CID 98513345
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
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
N-[(Z)-cyclohex-2-en-1-ylideneamino]-4-methylbenzenesulfonamide
CID 6510927
N-[(E)-[(3S,3aR,9aR)-3-hydroxy-1,2,3,3a,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-4-ylidene]amino]-4-methylbenzenesulfonamide
CID 11013551

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-3-tricyclo[3.3.1.02,8]non-6-enylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-3-tricyclo[3.3.1.02,8]non-6-enylideneamino]benzenesulfonamide (CID 13113777) is 4-methyl-N-[(E)-3-tricyclo[3.3.1.02,8]non-6-enylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-3-tricyclo[3.3.1.02,8]non-6-enylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-3-tricyclo[3.3.1.02,8]non-6-enylideneamino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C2\CC3C=CC4C(C3)C24)cc1.
What is the InChIKey of 4-methyl-N-[(E)-3-tricyclo[3.3.1.02,8]non-6-enylideneamino]benzenesulfonamide?
The InChIKey is ZEBZNHITEUIOFO-BMRADRMJSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-10-2-5-12(6-3-10)21(19,20)18-17-15-9-11-4-7-13-14(8-11)16(13)15/h2-7,11,13-14,16,18H,8-9H2,1H3/b17-15+.
What are the key properties of 4-methyl-N-[(E)-3-tricyclo[3.3.1.02,8]non-6-enylideneamino]benzenesulfonamide?
4-methyl-N-[(E)-3-tricyclo[3.3.1.02,8]non-6-enylideneamino]benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-3-tricyclo[3.3.1.02,8]non-6-enylideneamino]benzenesulfonamide is sourced from PubChem (CID 13113777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).