4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide

C19H22N2O2S — CID 3540750

IUPAC4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=C2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O2S/c1-15-7-13-19(14-8-15)24(22,23)21-20-18-11-9-17(10-12-18)16-5-3-2-4-6-16/h2-8,13-14,17,21H,9-12H2,1H3/b20-18-
InChIKeyCMUNSCUDCOPBQX-ZZEZOPTASA-N
MW342.46 g/mol
LogP3.99
Rot. Bonds4

About 4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide

4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide (PubChem CID 3540750) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
PubChem CID3540750
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=C2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O2S/c1-15-7-13-19(14-8-15)24(22,23)21-20-18-11-9-17(10-12-18)16-5-3-2-4-6-16/h2-8,13-14,17,21H,9-12H2,1H3/b20-18-
InChIKeyCMUNSCUDCOPBQX-ZZEZOPTASA-N
XLogP3.99
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.99
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-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
CID 3470758
4-methyl-N-[(4-naphthalen-1-ylcyclohexylidene)amino]benzenesulfonamide
CID 134382089
N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
CID 59365939
N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide
CID 171981444
4-methyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide
CID 7115137
N-(cyclooctylideneamino)benzenesulfonamide
CID 881753
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-[[3-[dideuterio(phenylmethoxy)methyl]cyclobutylidene]amino]-4-methylbenzenesulfonamide
CID 177250959
N-[(Z)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide
CID 5465867
N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide
CID 5468231

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide (CID 3540750) is 4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide is Cc1ccc(S(=O)(=O)NN=C2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide?
The InChIKey is CMUNSCUDCOPBQX-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-15-7-13-19(14-8-15)24(22,23)21-20-18-11-9-17(10-12-18)16-5-3-2-4-6-16/h2-8,13-14,17,21H,9-12H2,1H3/b20-18-.
What are the key properties of 4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide?
4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 3.99, 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-phenylcyclohexylidene)amino]benzenesulfonamide is sourced from PubChem (CID 3540750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).