N'-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]ethanimidamide;hydrochloride

C17H22ClN3O2S — CID 25231830

IUPACN'-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]ethanimidamide;hydrochloride
SMILESC/C(N)=N\Cc1cccc(CNS(=O)(=O)c2ccc(C)cc2)c1.Cl
InChIInChI=1S/C17H21N3O2S.ClH/c1-13-6-8-17(9-7-13)23(21,22)20-12-16-5-3-4-15(10-16)11-19-14(2)18;/h3-10,20H,11-12H2,1-2H3,(H2,18,19);1H
InChIKeyLCRIBTICRYXFSP-UHFFFAOYSA-N
MW367.90 g/mol
LogP2.77
Rot. Bonds6

About N'-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]ethanimidamide;hydrochloride

N'-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]ethanimidamide;hydrochloride (PubChem CID 25231830) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is N'-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]ethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]ethanimidamide;hydrochloride
PubChem CID25231830
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC NameN'-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]ethanimidamide;hydrochloride
SMILESC/C(N)=N\Cc1cccc(CNS(=O)(=O)c2ccc(C)cc2)c1.Cl
InChIInChI=1S/C17H21N3O2S.ClH/c1-13-6-8-17(9-7-13)23(21,22)20-12-16-5-3-4-15(10-16)11-19-14(2)18;/h3-10,20H,11-12H2,1-2H3,(H2,18,19);1H
InChIKeyLCRIBTICRYXFSP-UHFFFAOYSA-N
XLogP2.77
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]ethanimidamide;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-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]ethanimidamide;hydrochloride?
The IUPAC name of N'-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]ethanimidamide;hydrochloride (CID 25231830) is N'-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]ethanimidamide;hydrochloride.
What is the SMILES notation for N'-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]ethanimidamide;hydrochloride?
The canonical SMILES for N'-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]ethanimidamide;hydrochloride is C/C(N)=N\Cc1cccc(CNS(=O)(=O)c2ccc(C)cc2)c1.Cl.
What is the InChIKey of N'-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]ethanimidamide;hydrochloride?
The InChIKey is LCRIBTICRYXFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S.ClH/c1-13-6-8-17(9-7-13)23(21,22)20-12-16-5-3-4-15(10-16)11-19-14(2)18;/h3-10,20H,11-12H2,1-2H3,(H2,18,19);1H.
What are the key properties of N'-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]ethanimidamide;hydrochloride?
N'-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]ethanimidamide;hydrochloride has a molecular weight of 367.90 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]ethanimidamide;hydrochloride is sourced from PubChem (CID 25231830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).