2-benzhydrylsulfinyl-N'-hydroxyethanimidamide;hydrochloride

C15H17ClN2O2S — CID 22758888

IUPAC2-benzhydrylsulfinyl-N'-hydroxyethanimidamide;hydrochloride
SMILESCl.N/C(CS(=O)C(c1ccccc1)c1ccccc1)=N/O
InChIInChI=1S/C15H16N2O2S.ClH/c16-14(17-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,15,18H,11H2,(H2,16,17);1H
InChIKeyWZRXKUYQGINUFC-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.69
Rot. Bonds5

About 2-benzhydrylsulfinyl-N'-hydroxyethanimidamide;hydrochloride

2-benzhydrylsulfinyl-N'-hydroxyethanimidamide;hydrochloride (PubChem CID 22758888) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-benzhydrylsulfinyl-N'-hydroxyethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-benzhydrylsulfinyl-N'-hydroxyethanimidamide;hydrochloride
PubChem CID22758888
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-benzhydrylsulfinyl-N'-hydroxyethanimidamide;hydrochloride
SMILESCl.N/C(CS(=O)C(c1ccccc1)c1ccccc1)=N/O
InChIInChI=1S/C15H16N2O2S.ClH/c16-14(17-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,15,18H,11H2,(H2,16,17);1H
InChIKeyWZRXKUYQGINUFC-UHFFFAOYSA-N
XLogP2.69
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.69
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-Fluorobenzylsulphonyl)acetamidoxime
CID 9580386
CID 5702875
CID 5702875
2-[(4-fluorophenyl)methylsulfonyl]-N'-hydroxyethanimidamide
CID 2737285
N'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide
CID 2743769
N'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide
CID 9580840
2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide
CID 72821383
N'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide
CID 5703919
2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide
CID 11373021
2-[(3,4-difluorophenyl)methylsulfonyl]-N'-hydroxyethanimidamide
CID 91926979
2-[(3,4-Difluorophenyl)methanesulfonyl]-N-(hydroxy)acetamidine
CID 124298754
4-benzhydrylsulfanyl-N'-hydroxybutanimidamide
CID 22758880
4-benzhydrylsulfinyl-N'-hydroxybutanimidamide;hydrochloride
CID 22758890

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfinyl-N'-hydroxyethanimidamide;hydrochloride?
The IUPAC name of 2-benzhydrylsulfinyl-N'-hydroxyethanimidamide;hydrochloride (CID 22758888) is 2-benzhydrylsulfinyl-N'-hydroxyethanimidamide;hydrochloride.
What is the SMILES notation for 2-benzhydrylsulfinyl-N'-hydroxyethanimidamide;hydrochloride?
The canonical SMILES for 2-benzhydrylsulfinyl-N'-hydroxyethanimidamide;hydrochloride is Cl.N/C(CS(=O)C(c1ccccc1)c1ccccc1)=N/O.
What is the InChIKey of 2-benzhydrylsulfinyl-N'-hydroxyethanimidamide;hydrochloride?
The InChIKey is WZRXKUYQGINUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S.ClH/c16-14(17-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,15,18H,11H2,(H2,16,17);1H.
What are the key properties of 2-benzhydrylsulfinyl-N'-hydroxyethanimidamide;hydrochloride?
2-benzhydrylsulfinyl-N'-hydroxyethanimidamide;hydrochloride has a molecular weight of 324.83 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfinyl-N'-hydroxyethanimidamide;hydrochloride is sourced from PubChem (CID 22758888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).