N-[(E)-(2,2-dibenzylcyclohexylidene)amino]-4-methylbenzenesulfonamide

C27H30N2O2S — CID 10343547

IUPACN-[(E)-(2,2-dibenzylcyclohexylidene)amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2\CCCCC2(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C27H30N2O2S/c1-22-15-17-25(18-16-22)32(30,31)29-28-26-14-8-9-19-27(26,20-23-10-4-2-5-11-23)21-24-12-6-3-7-13-24/h2-7,10-13,15-18,29H,8-9,14,19-21H2,1H3/b28-26+
InChIKeyAFUWPVCWJUFHQJ-BYCLXTJYSA-N
MW446.62 g/mol
LogP5.68
Rot. Bonds7

About N-[(E)-(2,2-dibenzylcyclohexylidene)amino]-4-methylbenzenesulfonamide

N-[(E)-(2,2-dibenzylcyclohexylidene)amino]-4-methylbenzenesulfonamide (PubChem CID 10343547) has the molecular formula C27H30N2O2S and a molecular weight of 446.62 g/mol. Its IUPAC name is N-[(E)-(2,2-dibenzylcyclohexylidene)amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2,2-dibenzylcyclohexylidene)amino]-4-methylbenzenesulfonamide
PubChem CID10343547
Molecular FormulaC27H30N2O2S
Molecular Weight446.62 g/mol
Exact Mass446.20
IUPAC NameN-[(E)-(2,2-dibenzylcyclohexylidene)amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2\CCCCC2(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C27H30N2O2S/c1-22-15-17-25(18-16-22)32(30,31)29-28-26-14-8-9-19-27(26,20-23-10-4-2-5-11-23)21-24-12-6-3-7-13-24/h2-7,10-13,15-18,29H,8-9,14,19-21H2,1H3/b28-26+
InChIKeyAFUWPVCWJUFHQJ-BYCLXTJYSA-N
XLogP5.68
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.62
LogP ≤ 55.68
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,2-dibenzylcyclohexylidene)amino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-(2,2-dibenzylcyclohexylidene)amino]-4-methylbenzenesulfonamide (CID 10343547) is N-[(E)-(2,2-dibenzylcyclohexylidene)amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(2,2-dibenzylcyclohexylidene)amino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(2,2-dibenzylcyclohexylidene)amino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C2\CCCCC2(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N-[(E)-(2,2-dibenzylcyclohexylidene)amino]-4-methylbenzenesulfonamide?
The InChIKey is AFUWPVCWJUFHQJ-BYCLXTJYSA-N. The full InChI is InChI=1S/C27H30N2O2S/c1-22-15-17-25(18-16-22)32(30,31)29-28-26-14-8-9-19-27(26,20-23-10-4-2-5-11-23)21-24-12-6-3-7-13-24/h2-7,10-13,15-18,29H,8-9,14,19-21H2,1H3/b28-26+.
What are the key properties of N-[(E)-(2,2-dibenzylcyclohexylidene)amino]-4-methylbenzenesulfonamide?
N-[(E)-(2,2-dibenzylcyclohexylidene)amino]-4-methylbenzenesulfonamide has a molecular weight of 446.62 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,2-dibenzylcyclohexylidene)amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10343547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).