2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide

C14H13ClN2O2S — CID 77003464

IUPAC2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide
SMILESCSc1ccc(Oc2cccc(Cl)c2C(N)=NO)cc1
InChIInChI=1S/C14H13ClN2O2S/c1-20-10-7-5-9(6-8-10)19-12-4-2-3-11(15)13(12)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyLUTBUFKVIPNGED-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.95
Rot. Bonds4

About 2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide

2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide (PubChem CID 77003464) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide
PubChem CID77003464
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide
SMILESCSc1ccc(Oc2cccc(Cl)c2C(N)=NO)cc1
InChIInChI=1S/C14H13ClN2O2S/c1-20-10-7-5-9(6-8-10)19-12-4-2-3-11(15)13(12)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyLUTBUFKVIPNGED-UHFFFAOYSA-N
XLogP3.95
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76999537
2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519262
2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide
CID 76945119
1-chloro-2-(4-methylsulfanylphenoxy)benzene
CID 141024023
2-chloro-6-[3-(dimethylamino)phenoxy]-N'-hydroxybenzenecarboximidamide
CID 76945186
2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide
CID 116689183
2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide
CID 76997687
2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76945151
2-fluoro-6-(4-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 79519799
2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide
CID 76945137
2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide
CID 106597229
2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114673544

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide (CID 77003464) is 2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide is CSc1ccc(Oc2cccc(Cl)c2C(N)=NO)cc1.
What is the InChIKey of 2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide?
The InChIKey is LUTBUFKVIPNGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-20-10-7-5-9(6-8-10)19-12-4-2-3-11(15)13(12)14(16)17-18/h2-8,18H,1H3,(H2,16,17).
What are the key properties of 2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide?
2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide has a molecular weight of 308.79 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 77003464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).