5-bromo-2-(2-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide

C13H10BrClN2OS — CID 114893506

IUPAC5-bromo-2-(2-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(Br)ccc1Sc1ccccc1Cl
InChIInChI=1S/C13H10BrClN2OS/c14-8-5-6-11(9(7-8)13(16)17-18)19-12-4-2-1-3-10(12)15/h1-7,18H,(H2,16,17)
InChIKeyKDDYHFICIHRUDT-UHFFFAOYSA-N
MW357.66 g/mol
LogP4.35
Rot. Bonds3

About 5-bromo-2-(2-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide

5-bromo-2-(2-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide (PubChem CID 114893506) has the molecular formula C13H10BrClN2OS and a molecular weight of 357.66 g/mol. Its IUPAC name is 5-bromo-2-(2-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-(2-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
PubChem CID114893506
Molecular FormulaC13H10BrClN2OS
Molecular Weight357.66 g/mol
Exact Mass355.94
IUPAC Name5-bromo-2-(2-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(Br)ccc1Sc1ccccc1Cl
InChIInChI=1S/C13H10BrClN2OS/c14-8-5-6-11(9(7-8)13(16)17-18)19-12-4-2-1-3-10(12)15/h1-7,18H,(H2,16,17)
InChIKeyKDDYHFICIHRUDT-UHFFFAOYSA-N
XLogP4.35
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.66
LogP ≤ 54.35
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

4-bromo-2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 114905058
5-bromo-N'-hydroxy-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 114893539
[5-bromo-2-(2-chlorophenyl)sulfanylphenyl]methanamine
CID 114893814
4-(3-bromophenyl)sulfanyl-3-chloro-N'-hydroxybenzenecarboximidamide
CID 76999831
5-bromo-N'-hydroxy-2-pyrazin-2-ylsulfanylbenzenecarboximidamide
CID 137004433
2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706
5-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide
CID 102924955
5-bromo-N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 114893517
bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate
CID 139071341
5-amino-2-(2-chlorophenyl)sulfanylbenzamide
CID 61314066
5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 55101609
2-(2-bromophenyl)sulfanyl-N'-hydroxy-4-methylbenzenecarboximidamide
CID 55057163

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-bromo-2-(2-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide (CID 114893506) is 5-bromo-2-(2-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-(2-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-bromo-2-(2-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cc(Br)ccc1Sc1ccccc1Cl.
What is the InChIKey of 5-bromo-2-(2-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
The InChIKey is KDDYHFICIHRUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2OS/c14-8-5-6-11(9(7-8)13(16)17-18)19-12-4-2-1-3-10(12)15/h1-7,18H,(H2,16,17).
What are the key properties of 5-bromo-2-(2-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
5-bromo-2-(2-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide has a molecular weight of 357.66 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114893506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).