4-(difluoromethylsulfonyl)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide

C17H16F2N2O6S — CID 8696693

IUPAC4-(difluoromethylsulfonyl)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
SMILESCOc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C17H16F2N2O6S/c1-26-13-4-2-3-5-14(13)27-10-15(22)20-21-16(23)11-6-8-12(9-7-11)28(24,25)17(18)19/h2-9,17H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyGLKMUDJYVRITMI-UHFFFAOYSA-N
MW414.39 g/mol
LogP1.53
Rot. Bonds7

About 4-(difluoromethylsulfonyl)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide

4-(difluoromethylsulfonyl)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide (PubChem CID 8696693) has the molecular formula C17H16F2N2O6S and a molecular weight of 414.39 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
PubChem CID8696693
Molecular FormulaC17H16F2N2O6S
Molecular Weight414.39 g/mol
Exact Mass414.07
IUPAC Name4-(difluoromethylsulfonyl)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
SMILESCOc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C17H16F2N2O6S/c1-26-13-4-2-3-5-14(13)27-10-15(22)20-21-16(23)11-6-8-12(9-7-11)28(24,25)17(18)19/h2-9,17H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyGLKMUDJYVRITMI-UHFFFAOYSA-N
XLogP1.53
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-methoxyphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952895
3-(difluoromethoxy)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7719984
N'-[2-(2-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide
CID 1047417
4-[[[2-(2-ethoxyphenoxy)acetyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 18159261
3-methoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7720061
4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide
CID 2590897
N'-[(E)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]-2-(2-methoxyphenoxy)acetohydrazide
CID 2379796
N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide
CID 7946052
2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide
CID 8506571
[2-(2-methoxyphenyl)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 7679711
4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26887625
N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide
CID 8506530

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide (CID 8696693) is 4-(difluoromethylsulfonyl)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide is COc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide?
The InChIKey is GLKMUDJYVRITMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O6S/c1-26-13-4-2-3-5-14(13)27-10-15(22)20-21-16(23)11-6-8-12(9-7-11)28(24,25)17(18)19/h2-9,17H,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-(difluoromethylsulfonyl)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide?
4-(difluoromethylsulfonyl)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide has a molecular weight of 414.39 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 8696693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).