N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethylsulfanyl]phenyl]benzenesulfonamide;hydrochloride

C21H22ClN3O2S2 — CID 87903052

IUPACN-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethylsulfanyl]phenyl]benzenesulfonamide;hydrochloride
SMILESCl.N/N=C\c1ccc(CCSc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C21H21N3O2S2.ClH/c22-23-16-18-11-9-17(10-12-18)13-14-27-20-6-4-5-19(15-20)24-28(25,26)21-7-2-1-3-8-21;/h1-12,15-16,24H,13-14,22H2;1H/b23-16-;
InChIKeyOQQXWBRJQLRSSK-YGCQTIHHSA-N
MW448.01 g/mol
LogP4.54
Rot. Bonds8

About N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethylsulfanyl]phenyl]benzenesulfonamide;hydrochloride

N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethylsulfanyl]phenyl]benzenesulfonamide;hydrochloride (PubChem CID 87903052) has the molecular formula C21H22ClN3O2S2 and a molecular weight of 448.01 g/mol. Its IUPAC name is N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethylsulfanyl]phenyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethylsulfanyl]phenyl]benzenesulfonamide;hydrochloride
PubChem CID87903052
Molecular FormulaC21H22ClN3O2S2
Molecular Weight448.01 g/mol
Exact Mass447.08
IUPAC NameN-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethylsulfanyl]phenyl]benzenesulfonamide;hydrochloride
SMILESCl.N/N=C\c1ccc(CCSc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C21H21N3O2S2.ClH/c22-23-16-18-11-9-17(10-12-18)13-14-27-20-6-4-5-19(15-20)24-28(25,26)21-7-2-1-3-8-21;/h1-12,15-16,24H,13-14,22H2;1H/b23-16-;
InChIKeyOQQXWBRJQLRSSK-YGCQTIHHSA-N
XLogP4.54
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.01
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethylsulfanyl]phenyl]benzenesulfonamide;hydrochloride 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-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethylsulfanyl]phenyl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethylsulfanyl]phenyl]benzenesulfonamide;hydrochloride (CID 87903052) is N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethylsulfanyl]phenyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethylsulfanyl]phenyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethylsulfanyl]phenyl]benzenesulfonamide;hydrochloride is Cl.N/N=C\c1ccc(CCSc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1.
What is the InChIKey of N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethylsulfanyl]phenyl]benzenesulfonamide;hydrochloride?
The InChIKey is OQQXWBRJQLRSSK-YGCQTIHHSA-N. The full InChI is InChI=1S/C21H21N3O2S2.ClH/c22-23-16-18-11-9-17(10-12-18)13-14-27-20-6-4-5-19(15-20)24-28(25,26)21-7-2-1-3-8-21;/h1-12,15-16,24H,13-14,22H2;1H/b23-16-;.
What are the key properties of N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethylsulfanyl]phenyl]benzenesulfonamide;hydrochloride?
N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethylsulfanyl]phenyl]benzenesulfonamide;hydrochloride has a molecular weight of 448.01 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethylsulfanyl]phenyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 87903052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).