2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide

C12H11ClN2O2S — CID 102724484

IUPAC2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCc2ccsc2)cc1Cl
InChIInChI=1S/C12H11ClN2O2S/c13-11-5-9(1-2-10(11)12(14)15-16)17-6-8-3-4-18-7-8/h1-5,7,16H,6H2,(H2,14,15)
InChIKeyHLILLKMORMJXNA-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.08
Rot. Bonds4

About 2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide

2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide (PubChem CID 102724484) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
PubChem CID102724484
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCc2ccsc2)cc1Cl
InChIInChI=1S/C12H11ClN2O2S/c13-11-5-9(1-2-10(11)12(14)15-16)17-6-8-3-4-18-7-8/h1-5,7,16H,6H2,(H2,14,15)
InChIKeyHLILLKMORMJXNA-UHFFFAOYSA-N
XLogP3.08
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.08
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'}

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Related Compounds

2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76981512
4-[(3-bromothiophen-2-yl)methoxy]-2-chloro-N'-hydroxybenzenecarboximidamide
CID 102724403
N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646208
2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
CID 102724377
2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
CID 102724449
2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77013685
2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 102724414
2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107279022
2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate
CID 59060393
2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
CID 102724409
2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide
CID 102724420
2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 76981418

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide (CID 102724484) is 2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide is N/C(=N/O)c1ccc(OCc2ccsc2)cc1Cl.
What is the InChIKey of 2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide?
The InChIKey is HLILLKMORMJXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-11-5-9(1-2-10(11)12(14)15-16)17-6-8-3-4-18-7-8/h1-5,7,16H,6H2,(H2,14,15).
What are the key properties of 2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide?
2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide has a molecular weight of 282.75 g/mol, XLogP of 3.08, 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-4-(thiophen-3-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 102724484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).