2-[2-[(E)-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid

C23H21N3O7S — CID 6900333

IUPAC2-[2-[(E)-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccccc2OCC(=O)O)c1
InChIInChI=1S/C23H21N3O7S/c1-32-21-12-5-3-10-19(21)26-34(30,31)18-9-6-8-16(13-18)23(29)25-24-14-17-7-2-4-11-20(17)33-15-22(27)28/h2-14,26H,15H2,1H3,(H,25,29)(H,27,28)/b24-14+
InChIKeyMYVISPXGJMQMIV-ZVHZXABRSA-N
MW483.50 g/mol
LogP2.72
Rot. Bonds10

About 2-[2-[(E)-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid

2-[2-[(E)-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 6900333) has the molecular formula C23H21N3O7S and a molecular weight of 483.50 g/mol. Its IUPAC name is 2-[2-[(E)-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(E)-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID6900333
Molecular FormulaC23H21N3O7S
Molecular Weight483.50 g/mol
Exact Mass483.11
IUPAC Name2-[2-[(E)-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccccc2OCC(=O)O)c1
InChIInChI=1S/C23H21N3O7S/c1-32-21-12-5-3-10-19(21)26-34(30,31)18-9-6-8-16(13-18)23(29)25-24-14-17-7-2-4-11-20(17)33-15-22(27)28/h2-14,26H,15H2,1H3,(H,25,29)(H,27,28)/b24-14+
InChIKeyMYVISPXGJMQMIV-ZVHZXABRSA-N
XLogP2.72
TPSA143.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(E)-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid (CID 6900333) is 2-[2-[(E)-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(E)-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(E)-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccccc2OCC(=O)O)c1.
What is the InChIKey of 2-[2-[(E)-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is MYVISPXGJMQMIV-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H21N3O7S/c1-32-21-12-5-3-10-19(21)26-34(30,31)18-9-6-8-16(13-18)23(29)25-24-14-17-7-2-4-11-20(17)33-15-22(27)28/h2-14,26H,15H2,1H3,(H,25,29)(H,27,28)/b24-14+.
What are the key properties of 2-[2-[(E)-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-[(E)-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 483.50 g/mol, XLogP of 2.72, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 6900333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).