5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide

C13H10Cl2N2OS — CID 55101609

IUPAC5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(Cl)ccc1Sc1cccc(Cl)c1
InChIInChI=1S/C13H10Cl2N2OS/c14-8-2-1-3-10(6-8)19-12-5-4-9(15)7-11(12)13(16)17-18/h1-7,18H,(H2,16,17)
InChIKeyYIDXENOYLHGJDO-UHFFFAOYSA-N
MW313.21 g/mol
LogP4.24
Rot. Bonds3

About 5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide

5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide (PubChem CID 55101609) has the molecular formula C13H10Cl2N2OS and a molecular weight of 313.21 g/mol. Its IUPAC name is 5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
PubChem CID55101609
Molecular FormulaC13H10Cl2N2OS
Molecular Weight313.21 g/mol
Exact Mass311.99
IUPAC Name5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(Cl)ccc1Sc1cccc(Cl)c1
InChIInChI=1S/C13H10Cl2N2OS/c14-8-2-1-3-10(6-8)19-12-5-4-9(15)7-11(12)13(16)17-18/h1-7,18H,(H2,16,17)
InChIKeyYIDXENOYLHGJDO-UHFFFAOYSA-N
XLogP4.24
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 54.24
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-bromo-6-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 114884313
5-chloro-2-(3-chlorophenyl)sulfanylaniline
CID 3026812
5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide
CID 103288502
[5-chloro-2-(3-chlorophenyl)sulfanylphenyl]methanol
CID 114865566
5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 82490852
5-amino-2-(3-chlorophenyl)sulfanylbenzoic acid
CID 62646131
2-butan-2-ylsulfanyl-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944700
5-chloro-N'-hydroxy-2-(oxetan-3-ylsulfanyl)benzenecarboximidamide
CID 79326178
3-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
CID 76984290
4-(3-bromophenyl)sulfanyl-3-chloro-N'-hydroxybenzenecarboximidamide
CID 76999831
N'-hydroxy-2-phenylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide
CID 43331404
2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid
CID 63673346

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide (CID 55101609) is 5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cc(Cl)ccc1Sc1cccc(Cl)c1.
What is the InChIKey of 5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
The InChIKey is YIDXENOYLHGJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2OS/c14-8-2-1-3-10(6-8)19-12-5-4-9(15)7-11(12)13(16)17-18/h1-7,18H,(H2,16,17).
What are the key properties of 5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide has a molecular weight of 313.21 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 55101609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).