N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide

C18H20N2O2S — CID 6235868

IUPACN-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide
SMILESCc1cc(C)c2c(c1)/C(=N/NS(=O)(=O)c1ccccc1)CCC2
InChIInChI=1S/C18H20N2O2S/c1-13-11-14(2)16-9-6-10-18(17(16)12-13)19-20-23(21,22)15-7-4-3-5-8-15/h3-5,7-8,11-12,20H,6,9-10H2,1-2H3/b19-18+
InChIKeyNMIJDWGTSNPCJX-VHEBQXMUSA-N
MW328.44 g/mol
LogP3.32
Rot. Bonds3

About N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide

N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide (PubChem CID 6235868) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide
PubChem CID6235868
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide
SMILESCc1cc(C)c2c(c1)/C(=N/NS(=O)(=O)c1ccccc1)CCC2
InChIInChI=1S/C18H20N2O2S/c1-13-11-14(2)16-9-6-10-18(17(16)12-13)19-20-23(21,22)15-7-4-3-5-8-15/h3-5,7-8,11-12,20H,6,9-10H2,1-2H3/b19-18+
InChIKeyNMIJDWGTSNPCJX-VHEBQXMUSA-N
XLogP3.32
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.32
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)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)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)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide?
The IUPAC name of N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide (CID 6235868) is N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide?
The canonical SMILES for N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide is Cc1cc(C)c2c(c1)/C(=N/NS(=O)(=O)c1ccccc1)CCC2.
What is the InChIKey of N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide?
The InChIKey is NMIJDWGTSNPCJX-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-11-14(2)16-9-6-10-18(17(16)12-13)19-20-23(21,22)15-7-4-3-5-8-15/h3-5,7-8,11-12,20H,6,9-10H2,1-2H3/b19-18+.
What are the key properties of N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide?
N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide has a molecular weight of 328.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide is sourced from PubChem (CID 6235868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).