2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide

C14H13BrN2O2S — CID 107279854

IUPAC2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
SMILESCOc1ccccc1Sc1ccc(/C(N)=N/O)c(Br)c1
InChIInChI=1S/C14H13BrN2O2S/c1-19-12-4-2-3-5-13(12)20-9-6-7-10(11(15)8-9)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyGVVHISFCCCODSR-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.70
Rot. Bonds4

About 2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide

2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide (PubChem CID 107279854) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is 2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
PubChem CID107279854
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC Name2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
SMILESCOc1ccccc1Sc1ccc(/C(N)=N/O)c(Br)c1
InChIInChI=1S/C14H13BrN2O2S/c1-19-12-4-2-3-5-13(12)20-9-6-7-10(11(15)8-9)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyGVVHISFCCCODSR-UHFFFAOYSA-N
XLogP3.70
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.70
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-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 76981642
N'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 76938911
1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone
CID 104613424
4-(2-methoxyphenyl)sulfanyl-2-methylaniline
CID 61298004
2-bromo-N'-hydroxy-4-(1-hydroxypropan-2-ylsulfanyl)benzenecarboximidamide
CID 107279897
2-bromo-N'-hydroxy-4-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
CID 107279885
2-(2-bromophenyl)sulfanyl-N'-hydroxy-4-methylbenzenecarboximidamide
CID 55057163
2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide
CID 142809517
2-bromo-N'-hydroxy-4-pyrazin-2-ylsulfanylbenzenecarboximidamide
CID 136843026
2-bromo-4-(3,4-dimethylphenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107536968
2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 107275304
2-bromo-N'-hydroxy-6-phenylsulfanylbenzenecarboximidamide
CID 114884262

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide (CID 107279854) is 2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide is COc1ccccc1Sc1ccc(/C(N)=N/O)c(Br)c1.
What is the InChIKey of 2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide?
The InChIKey is GVVHISFCCCODSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c1-19-12-4-2-3-5-13(12)20-9-6-7-10(11(15)8-9)14(16)17-18/h2-8,18H,1H3,(H2,16,17).
What are the key properties of 2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide?
2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide has a molecular weight of 353.24 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 107279854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).