5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide

C14H12Cl2N2OS — CID 103288502

IUPAC5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(Cl)ccc1SCc1ccccc1Cl
InChIInChI=1S/C14H12Cl2N2OS/c15-10-5-6-13(11(7-10)14(17)18-19)20-8-9-3-1-2-4-12(9)16/h1-7,19H,8H2,(H2,17,18)
InChIKeyUQORCCJHTOQTEZ-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.38
Rot. Bonds4

About 5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide

5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 103288502) has the molecular formula C14H12Cl2N2OS and a molecular weight of 327.24 g/mol. Its IUPAC name is 5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide
PubChem CID103288502
Molecular FormulaC14H12Cl2N2OS
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(Cl)ccc1SCc1ccccc1Cl
InChIInChI=1S/C14H12Cl2N2OS/c15-10-5-6-13(11(7-10)14(17)18-19)20-8-9-3-1-2-4-12(9)16/h1-7,19H,8H2,(H2,17,18)
InChIKeyUQORCCJHTOQTEZ-UHFFFAOYSA-N
XLogP4.38
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.38
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

5-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 103288569
[5-chloro-2-[(2-chlorophenyl)methylsulfanyl]phenyl]methanol
CID 103290841
2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107110977
5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 55101609
2-[(2-chlorophenyl)methylsulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 103288550
2-butan-2-ylsulfanyl-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944700
2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706
1-[5-chloro-2-[(2-chlorophenyl)methylsulfanyl]phenyl]butan-2-amine
CID 103290913
5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 82490852
4-chloro-N'-hydroxy-2-[(3-methylphenyl)methylsulfanyl]benzenecarboximidamide
CID 76984999
3-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide
CID 102668464
bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate
CID 139071341

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide (CID 103288502) is 5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cc(Cl)ccc1SCc1ccccc1Cl.
What is the InChIKey of 5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is UQORCCJHTOQTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2OS/c15-10-5-6-13(11(7-10)14(17)18-19)20-8-9-3-1-2-4-12(9)16/h1-7,19H,8H2,(H2,17,18).
What are the key properties of 5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide?
5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 327.24 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 103288502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).