N'-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]-N-hydroxymethanimidamide

C14H13ClN2OS — CID 20763364

IUPACN'-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]-N-hydroxymethanimidamide
SMILESON/C=N/c1ccc(SCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2OS/c15-12-3-1-11(2-4-12)9-19-14-7-5-13(6-8-14)16-10-17-18/h1-8,10,18H,9H2,(H,16,17)
InChIKeyDGNVGSCJGRIIJG-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.27
Rot. Bonds5

About N'-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]-N-hydroxymethanimidamide

N'-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]-N-hydroxymethanimidamide (PubChem CID 20763364) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is N'-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]-N-hydroxymethanimidamide
PubChem CID20763364
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC NameN'-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]-N-hydroxymethanimidamide
SMILESON/C=N/c1ccc(SCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2OS/c15-12-3-1-11(2-4-12)9-19-14-7-5-13(6-8-14)16-10-17-18/h1-8,10,18H,9H2,(H,16,17)
InChIKeyDGNVGSCJGRIIJG-UHFFFAOYSA-N
XLogP4.27
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.27
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 11701538
N'-(4-heptylsulfanylphenyl)-N-hydroxymethanimidamide
CID 20763415
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
CID 71199638
N-tert-butyl-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7987976
4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide
CID 27648094
2-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-1-fluorobenzene
CID 91657109
1-chloro-4-[(4-nitrophenyl)sulfanylmethyl]benzene
CID 15716431
2-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]propanehydrazide
CID 105352324
(4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 139753747
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7948805
N-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 119628946
N-[(Z)-(2-bromophenyl)methylideneamino]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 94837906

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]-N-hydroxymethanimidamide?
The IUPAC name of N'-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]-N-hydroxymethanimidamide (CID 20763364) is N'-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]-N-hydroxymethanimidamide.
What is the SMILES notation for N'-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]-N-hydroxymethanimidamide?
The canonical SMILES for N'-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]-N-hydroxymethanimidamide is ON/C=N/c1ccc(SCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]-N-hydroxymethanimidamide?
The InChIKey is DGNVGSCJGRIIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c15-12-3-1-11(2-4-12)9-19-14-7-5-13(6-8-14)16-10-17-18/h1-8,10,18H,9H2,(H,16,17).
What are the key properties of N'-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]-N-hydroxymethanimidamide?
N'-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]-N-hydroxymethanimidamide has a molecular weight of 292.79 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]-N-hydroxymethanimidamide is sourced from PubChem (CID 20763364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).