2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide

C16H15F3N2O5S — CID 8506571

IUPAC2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide
SMILESCOc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O5S/c1-25-13-4-2-3-5-14(13)26-10-15(22)20-21-27(23,24)12-8-6-11(7-9-12)16(17,18)19/h2-9,21H,10H2,1H3,(H,20,22)
InChIKeyJBKFYZXFMIFVSX-UHFFFAOYSA-N
MW404.37 g/mol
LogP2.10
Rot. Bonds7

About 2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide

2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide (PubChem CID 8506571) has the molecular formula C16H15F3N2O5S and a molecular weight of 404.37 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide
PubChem CID8506571
Molecular FormulaC16H15F3N2O5S
Molecular Weight404.37 g/mol
Exact Mass404.07
IUPAC Name2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide
SMILESCOc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O5S/c1-25-13-4-2-3-5-14(13)26-10-15(22)20-21-27(23,24)12-8-6-11(7-9-12)16(17,18)19/h2-9,21H,10H2,1H3,(H,20,22)
InChIKeyJBKFYZXFMIFVSX-UHFFFAOYSA-N
XLogP2.10
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide 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

N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide
CID 8506530
N-[4-[[[2-(2-methoxyphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide
CID 8506456
2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide
CID 8614556
2-(2-methoxyphenoxy)-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide
CID 8506562
2-(2-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26732878
2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide
CID 8505935
2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide
CID 8505175
N'-(4-acetylphenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide
CID 8614591
2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 29409274
4-(difluoromethylsulfonyl)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 8696693
2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4984397
N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide?
The IUPAC name of 2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide (CID 8506571) is 2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide is COc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide?
The InChIKey is JBKFYZXFMIFVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O5S/c1-25-13-4-2-3-5-14(13)26-10-15(22)20-21-27(23,24)12-8-6-11(7-9-12)16(17,18)19/h2-9,21H,10H2,1H3,(H,20,22).
What are the key properties of 2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide?
2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide has a molecular weight of 404.37 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide is sourced from PubChem (CID 8506571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).