2-(2-bromophenyl)sulfanyl-N'-hydroxy-4-methylbenzenecarboximidamide

C14H13BrN2OS — CID 55057163

IUPAC2-(2-bromophenyl)sulfanyl-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)c(Sc2ccccc2Br)c1
InChIInChI=1S/C14H13BrN2OS/c1-9-6-7-10(14(16)17-18)13(8-9)19-12-5-3-2-4-11(12)15/h2-8,18H,1H3,(H2,16,17)
InChIKeyUKHGNTBBVGBIAG-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.00
Rot. Bonds3

About 2-(2-bromophenyl)sulfanyl-N'-hydroxy-4-methylbenzenecarboximidamide

2-(2-bromophenyl)sulfanyl-N'-hydroxy-4-methylbenzenecarboximidamide (PubChem CID 55057163) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-N'-hydroxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-N'-hydroxy-4-methylbenzenecarboximidamide
PubChem CID55057163
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC Name2-(2-bromophenyl)sulfanyl-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)c(Sc2ccccc2Br)c1
InChIInChI=1S/C14H13BrN2OS/c1-9-6-7-10(14(16)17-18)13(8-9)19-12-5-3-2-4-11(12)15/h2-8,18H,1H3,(H2,16,17)
InChIKeyUKHGNTBBVGBIAG-UHFFFAOYSA-N
XLogP4.00
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.00
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

N'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 76938911
2-(2-bromophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938982
N'-hydroxy-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide
CID 76938741
2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
CID 125466399
[2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine
CID 107931418
N'-hydroxy-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide
CID 76975219
5-bromo-2-(2-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 114893506
3-bromo-4-(2-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 82798618
2-(2,3-dihydroxypropylsulfanyl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 79682498
2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930251
2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 107279854
4-bromo-2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 114905058

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-N'-hydroxy-4-methylbenzenecarboximidamide?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-N'-hydroxy-4-methylbenzenecarboximidamide (CID 55057163) is 2-(2-bromophenyl)sulfanyl-N'-hydroxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-N'-hydroxy-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-N'-hydroxy-4-methylbenzenecarboximidamide is Cc1ccc(/C(N)=N/O)c(Sc2ccccc2Br)c1.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-N'-hydroxy-4-methylbenzenecarboximidamide?
The InChIKey is UKHGNTBBVGBIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c1-9-6-7-10(14(16)17-18)13(8-9)19-12-5-3-2-4-11(12)15/h2-8,18H,1H3,(H2,16,17).
What are the key properties of 2-(2-bromophenyl)sulfanyl-N'-hydroxy-4-methylbenzenecarboximidamide?
2-(2-bromophenyl)sulfanyl-N'-hydroxy-4-methylbenzenecarboximidamide has a molecular weight of 337.24 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-N'-hydroxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 55057163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).