4-bromo-2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide

C13H9BrCl2N2OS — CID 114905058

IUPAC4-bromo-2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Br)cc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9BrCl2N2OS/c14-7-1-3-9(13(17)18-19)11(5-7)20-12-6-8(15)2-4-10(12)16/h1-6,19H,(H2,17,18)
InChIKeyUPFJWBPDFBRGAS-UHFFFAOYSA-N
MW392.11 g/mol
LogP5.00
Rot. Bonds3

About 4-bromo-2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide

4-bromo-2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide (PubChem CID 114905058) has the molecular formula C13H9BrCl2N2OS and a molecular weight of 392.11 g/mol. Its IUPAC name is 4-bromo-2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
PubChem CID114905058
Molecular FormulaC13H9BrCl2N2OS
Molecular Weight392.11 g/mol
Exact Mass389.90
IUPAC Name4-bromo-2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Br)cc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9BrCl2N2OS/c14-7-1-3-9(13(17)18-19)11(5-7)20-12-6-8(15)2-4-10(12)16/h1-6,19H,(H2,17,18)
InChIKeyUPFJWBPDFBRGAS-UHFFFAOYSA-N
XLogP5.00
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.11
LogP ≤ 55.00
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-bromo-2-(2-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 114893506
2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916288
4-chloro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide
CID 76984895
4-bromo-N'-hydroxy-2-pyrimidin-4-ylsulfanylbenzenecarboximidamide
CID 114905123
5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 123754109
4-chloro-N'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
CID 76984922
4-bromo-N'-hydroxy-2-(1-methyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 137000762
4-bromo-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxybenzenecarboximidamide
CID 114905121
N-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine
CID 73431883
4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904195
5-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952318
4-chloro-N'-hydroxy-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
CID 76985022

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-bromo-2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide (CID 114905058) is 4-bromo-2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-bromo-2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(Br)cc1Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-bromo-2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
The InChIKey is UPFJWBPDFBRGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2OS/c14-7-1-3-9(13(17)18-19)11(5-7)20-12-6-8(15)2-4-10(12)16/h1-6,19H,(H2,17,18).
What are the key properties of 4-bromo-2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
4-bromo-2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide has a molecular weight of 392.11 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114905058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).