N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide

C13H18N2O2S — CID 6392166

IUPACN-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide
SMILESCC1CCC/C(=N\NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C13H18N2O2S/c1-11-6-5-7-12(10-11)14-15-18(16,17)13-8-3-2-4-9-13/h2-4,8-9,11,15H,5-7,10H2,1H3/b14-12+
InChIKeyUDCLGSNSBZNERV-WYMLVPIESA-N
MW266.37 g/mol
LogP2.53
Rot. Bonds3

About N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide

N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide (PubChem CID 6392166) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide
PubChem CID6392166
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide
SMILESCC1CCC/C(=N\NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C13H18N2O2S/c1-11-6-5-7-12(10-11)14-15-18(16,17)13-8-3-2-4-9-13/h2-4,8-9,11,15H,5-7,10H2,1H3/b14-12+
InChIKeyUDCLGSNSBZNERV-WYMLVPIESA-N
XLogP2.53
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.53
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'}

Analyze N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide?
The IUPAC name of N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide (CID 6392166) is N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide?
The canonical SMILES for N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide is CC1CCC/C(=N\NS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide?
The InChIKey is UDCLGSNSBZNERV-WYMLVPIESA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-11-6-5-7-12(10-11)14-15-18(16,17)13-8-3-2-4-9-13/h2-4,8-9,11,15H,5-7,10H2,1H3/b14-12+.
What are the key properties of N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide?
N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide has a molecular weight of 266.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide is sourced from PubChem (CID 6392166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).