2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide

C16H15F3N2O5S — CID 8505935

IUPAC2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide
SMILESCc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O5S/c1-11-4-2-3-5-14(11)25-10-15(22)20-21-27(23,24)13-8-6-12(7-9-13)26-16(17,18)19/h2-9,21H,10H2,1H3,(H,20,22)
InChIKeyMQRHRTUMRGCUKH-UHFFFAOYSA-N
MW404.37 g/mol
LogP2.28
Rot. Bonds7

About 2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide

2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide (PubChem CID 8505935) has the molecular formula C16H15F3N2O5S and a molecular weight of 404.37 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide
PubChem CID8505935
Molecular FormulaC16H15F3N2O5S
Molecular Weight404.37 g/mol
Exact Mass404.07
IUPAC Name2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide
SMILESCc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O5S/c1-11-4-2-3-5-14(11)25-10-15(22)20-21-27(23,24)13-8-6-12(7-9-13)26-16(17,18)19/h2-9,21H,10H2,1H3,(H,20,22)
InChIKeyMQRHRTUMRGCUKH-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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-methylphenoxy)-N'-[4-(trifluoromethoxy)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-(2-methylphenoxy)but-2-ynyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90575449
2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide
CID 8614556
2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide
CID 8506571
N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide
CID 8506530
N'-(4-acetylphenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide
CID 8614591
2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
CID 8523928
N'-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylphenoxy)acetohydrazide
CID 8515456
N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648
2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 3374893
N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 9301745
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
CID 7700204
N-[4-[[[2-(2-methoxyphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide
CID 8506456

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide?
The IUPAC name of 2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide (CID 8505935) is 2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide.
What is the SMILES notation for 2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide?
The canonical SMILES for 2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide is Cc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide?
The InChIKey is MQRHRTUMRGCUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O5S/c1-11-4-2-3-5-14(11)25-10-15(22)20-21-27(23,24)13-8-6-12(7-9-13)26-16(17,18)19/h2-9,21H,10H2,1H3,(H,20,22).
What are the key properties of 2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide?
2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide has a molecular weight of 404.37 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide is sourced from PubChem (CID 8505935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).