4-benzhydrylsulfinyl-N'-hydroxybutanimidamide;hydrochloride

C17H21ClN2O2S — CID 22758890

IUPAC4-benzhydrylsulfinyl-N'-hydroxybutanimidamide;hydrochloride
SMILESCl.N/C(CCCS(=O)C(c1ccccc1)c1ccccc1)=N\O
InChIInChI=1S/C17H20N2O2S.ClH/c18-16(19-20)12-7-13-22(21)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15;/h1-6,8-11,17,20H,7,12-13H2,(H2,18,19);1H
InChIKeyRYRKUOXJTMQTBL-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.47
Rot. Bonds7

About 4-benzhydrylsulfinyl-N'-hydroxybutanimidamide;hydrochloride

4-benzhydrylsulfinyl-N'-hydroxybutanimidamide;hydrochloride (PubChem CID 22758890) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is 4-benzhydrylsulfinyl-N'-hydroxybutanimidamide;hydrochloride.

Molecular Properties

Compound Name4-benzhydrylsulfinyl-N'-hydroxybutanimidamide;hydrochloride
PubChem CID22758890
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC Name4-benzhydrylsulfinyl-N'-hydroxybutanimidamide;hydrochloride
SMILESCl.N/C(CCCS(=O)C(c1ccccc1)c1ccccc1)=N\O
InChIInChI=1S/C17H20N2O2S.ClH/c18-16(19-20)12-7-13-22(21)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15;/h1-6,8-11,17,20H,7,12-13H2,(H2,18,19);1H
InChIKeyRYRKUOXJTMQTBL-UHFFFAOYSA-N
XLogP3.47
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.47
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-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide
CID 72821383
2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide
CID 11373021
2-(Phenylsulfinyl)phenylacetamide oxime
CID 9602050
4-benzhydrylsulfanyl-N'-hydroxybutanimidamide
CID 22758880
2-benzhydrylsulfinyl-N'-hydroxyethanimidamide;hydrochloride
CID 22758888
3-benzhydrylsulfanyl-N'-hydroxypropanimidamide;hydrochloride
CID 22758893
3-benzhydrylsulfanyl-N'-hydroxypropanimidamide
CID 22758894
3-benzhydrylsulfinyl-N'-hydroxypropanimidamide;hydrochloride
CID 22758898
4-benzhydrylsulfanyl-N'-hydroxybutanimidamide
CID 53658374
2-benzhydrylsulfinyl-N'-hydroxyethanimidamide
CID 54049841
3-benzhydrylsulfanyl-N'-hydroxypropanimidamide
CID 54205480
3-benzhydrylsulfinyl-N'-hydroxypropanimidamide
CID 54481669

Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylsulfinyl-N'-hydroxybutanimidamide;hydrochloride?
The IUPAC name of 4-benzhydrylsulfinyl-N'-hydroxybutanimidamide;hydrochloride (CID 22758890) is 4-benzhydrylsulfinyl-N'-hydroxybutanimidamide;hydrochloride.
What is the SMILES notation for 4-benzhydrylsulfinyl-N'-hydroxybutanimidamide;hydrochloride?
The canonical SMILES for 4-benzhydrylsulfinyl-N'-hydroxybutanimidamide;hydrochloride is Cl.N/C(CCCS(=O)C(c1ccccc1)c1ccccc1)=N\O.
What is the InChIKey of 4-benzhydrylsulfinyl-N'-hydroxybutanimidamide;hydrochloride?
The InChIKey is RYRKUOXJTMQTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S.ClH/c18-16(19-20)12-7-13-22(21)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15;/h1-6,8-11,17,20H,7,12-13H2,(H2,18,19);1H.
What are the key properties of 4-benzhydrylsulfinyl-N'-hydroxybutanimidamide;hydrochloride?
4-benzhydrylsulfinyl-N'-hydroxybutanimidamide;hydrochloride has a molecular weight of 352.89 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylsulfinyl-N'-hydroxybutanimidamide;hydrochloride is sourced from PubChem (CID 22758890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).