2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide

C16H16BrN3O4S — CID 92534259

IUPAC2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(Br)cc1/C=N\NC(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16BrN3O4S/c1-24-15-8-7-13(17)9-12(15)10-18-20-16(21)11-19-25(22,23)14-5-3-2-4-6-14/h2-10,19H,11H2,1H3,(H,20,21)/b18-10-
InChIKeyLBWXODGEJXISHR-ZDLGFXPLSA-N
MW426.29 g/mol
LogP1.89
Rot. Bonds7

About 2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide

2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide (PubChem CID 92534259) has the molecular formula C16H16BrN3O4S and a molecular weight of 426.29 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
PubChem CID92534259
Molecular FormulaC16H16BrN3O4S
Molecular Weight426.29 g/mol
Exact Mass425.00
IUPAC Name2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(Br)cc1/C=N\NC(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16BrN3O4S/c1-24-15-8-7-13(17)9-12(15)10-18-20-16(21)11-19-25(22,23)14-5-3-2-4-6-14/h2-10,19H,11H2,1H3,(H,20,21)/b18-10-
InChIKeyLBWXODGEJXISHR-ZDLGFXPLSA-N
XLogP1.89
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
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'}

Analyze 2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 2824721
2-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135710674
[4-bromo-2-[[[2-[(4-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 3636884
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 126035497
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 94847274
2-(benzenesulfonamido)-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 92534256
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 98091448
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(4-chloroanilino)acetamide
CID 4573568
[2-methoxy-4-[(Z)-[[2-[(4-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 6246130
N-[2-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 6142119
2-(benzotriazol-2-yl)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 5454054
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide
CID 5334708

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide (CID 92534259) is 2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide is COc1ccc(Br)cc1/C=N\NC(=O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is LBWXODGEJXISHR-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H16BrN3O4S/c1-24-15-8-7-13(17)9-12(15)10-18-20-16(21)11-19-25(22,23)14-5-3-2-4-6-14/h2-10,19H,11H2,1H3,(H,20,21)/b18-10-.
What are the key properties of 2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide?
2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 426.29 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 92534259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).