2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide

C16H15BrN2O4S — CID 9354585

IUPAC2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)CO/N=C\c1ccccc1Br
InChIInChI=1S/C16H15BrN2O4S/c1-24(21,22)15-9-5-4-8-14(15)19-16(20)11-23-18-10-12-6-2-3-7-13(12)17/h2-10H,11H2,1H3,(H,19,20)/b18-10-
InChIKeyQMACWMFAXWRCOX-ZDLGFXPLSA-N
MW411.28 g/mol
LogP2.84
Rot. Bonds6

About 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide

2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide (PubChem CID 9354585) has the molecular formula C16H15BrN2O4S and a molecular weight of 411.28 g/mol. Its IUPAC name is 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide
PubChem CID9354585
Molecular FormulaC16H15BrN2O4S
Molecular Weight411.28 g/mol
Exact Mass409.99
IUPAC Name2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)CO/N=C\c1ccccc1Br
InChIInChI=1S/C16H15BrN2O4S/c1-24(21,22)15-9-5-4-8-14(15)19-16(20)11-23-18-10-12-6-2-3-7-13(12)17/h2-10H,11H2,1H3,(H,19,20)/b18-10-
InChIKeyQMACWMFAXWRCOX-ZDLGFXPLSA-N
XLogP2.84
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide
CID 9354637
N-(2-methylsulfonylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 9355558
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide
CID 7670659
2-[(2-bromophenyl)methylideneamino]oxyacetic acid
CID 2336636
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9354583
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 7670810
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide
CID 7703285
5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide
CID 79199090
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylsulfonylphenyl)acetamide
CID 9353732
2-[(Z)-benzylideneamino]oxy-N-(2-bromo-4-methylphenyl)acetamide
CID 7643958
3-bromo-2-chloro-N-(2-methylsulfonylphenyl)benzamide
CID 103983155
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide
CID 7644360

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide (CID 9354585) is 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccccc1NC(=O)CO/N=C\c1ccccc1Br.
What is the InChIKey of 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide?
The InChIKey is QMACWMFAXWRCOX-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H15BrN2O4S/c1-24(21,22)15-9-5-4-8-14(15)19-16(20)11-23-18-10-12-6-2-3-7-13(12)17/h2-10H,11H2,1H3,(H,19,20)/b18-10-.
What are the key properties of 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide?
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide has a molecular weight of 411.28 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 9354585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).