4-methyl-N-[(4-naphthalen-1-ylcyclohexylidene)amino]benzenesulfonamide

C23H24N2O2S — CID 134382089

IUPAC4-methyl-N-[(4-naphthalen-1-ylcyclohexylidene)amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=C2CCC(c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C23H24N2O2S/c1-17-9-15-21(16-10-17)28(26,27)25-24-20-13-11-19(12-14-20)23-8-4-6-18-5-2-3-7-22(18)23/h2-10,15-16,19,25H,11-14H2,1H3/b24-20-
InChIKeyQMXLBADOYDTPHH-GFMRDNFCSA-N
MW392.52 g/mol
LogP5.14
Rot. Bonds4

About 4-methyl-N-[(4-naphthalen-1-ylcyclohexylidene)amino]benzenesulfonamide

4-methyl-N-[(4-naphthalen-1-ylcyclohexylidene)amino]benzenesulfonamide (PubChem CID 134382089) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 4-methyl-N-[(4-naphthalen-1-ylcyclohexylidene)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(4-naphthalen-1-ylcyclohexylidene)amino]benzenesulfonamide
PubChem CID134382089
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name4-methyl-N-[(4-naphthalen-1-ylcyclohexylidene)amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=C2CCC(c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C23H24N2O2S/c1-17-9-15-21(16-10-17)28(26,27)25-24-20-13-11-19(12-14-20)23-8-4-6-18-5-2-3-7-22(18)23/h2-10,15-16,19,25H,11-14H2,1H3/b24-20-
InChIKeyQMXLBADOYDTPHH-GFMRDNFCSA-N
XLogP5.14
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.14
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-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
CID 3540750
N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
CID 59365939
4-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
CID 3470758
4-methyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide
CID 7115137
N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide
CID 171981444
4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide
CID 54601490
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-[(E)-oxan-3-ylideneamino]benzenesulfonamide
CID 5465868
N-[(E)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]amino]-4-methylbenzenesulfonamide
CID 98513345
N-(cyclooctylideneamino)benzenesulfonamide
CID 881753
N-[[3-[dideuterio(phenylmethoxy)methyl]cyclobutylidene]amino]-4-methylbenzenesulfonamide
CID 177250959
N-[(Z)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide
CID 5465867

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-naphthalen-1-ylcyclohexylidene)amino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(4-naphthalen-1-ylcyclohexylidene)amino]benzenesulfonamide (CID 134382089) is 4-methyl-N-[(4-naphthalen-1-ylcyclohexylidene)amino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(4-naphthalen-1-ylcyclohexylidene)amino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(4-naphthalen-1-ylcyclohexylidene)amino]benzenesulfonamide is Cc1ccc(S(=O)(=O)NN=C2CCC(c3cccc4ccccc34)CC2)cc1.
What is the InChIKey of 4-methyl-N-[(4-naphthalen-1-ylcyclohexylidene)amino]benzenesulfonamide?
The InChIKey is QMXLBADOYDTPHH-GFMRDNFCSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-17-9-15-21(16-10-17)28(26,27)25-24-20-13-11-19(12-14-20)23-8-4-6-18-5-2-3-7-22(18)23/h2-10,15-16,19,25H,11-14H2,1H3/b24-20-.
What are the key properties of 4-methyl-N-[(4-naphthalen-1-ylcyclohexylidene)amino]benzenesulfonamide?
4-methyl-N-[(4-naphthalen-1-ylcyclohexylidene)amino]benzenesulfonamide has a molecular weight of 392.52 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-naphthalen-1-ylcyclohexylidene)amino]benzenesulfonamide is sourced from PubChem (CID 134382089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).