2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide

C15H15FN2O5S — CID 8614556

IUPAC2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C15H15FN2O5S/c1-22-11-6-8-12(9-7-11)24(20,21)18-17-15(19)10-23-14-5-3-2-4-13(14)16/h2-9,18H,10H2,1H3,(H,17,19)
InChIKeyRQYAVNIEOXISHJ-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.22
Rot. Bonds7

About 2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide

2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide (PubChem CID 8614556) has the molecular formula C15H15FN2O5S and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide
PubChem CID8614556
Molecular FormulaC15H15FN2O5S
Molecular Weight354.36 g/mol
Exact Mass354.07
IUPAC Name2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C15H15FN2O5S/c1-22-11-6-8-12(9-7-11)24(20,21)18-17-15(19)10-23-14-5-3-2-4-13(14)16/h2-9,18H,10H2,1H3,(H,17,19)
InChIKeyRQYAVNIEOXISHJ-UHFFFAOYSA-N
XLogP1.22
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-acetylphenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide
CID 8614591
N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648
2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide
CID 8506571
N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide
CID 8506530
N'-(2,5-difluorophenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide
CID 9236867
N-[4-[[[2-(2-methoxyphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide
CID 8506456
2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide
CID 8505935
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 7962741
2-(2-fluorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide
CID 9219508
2-(2-fluorophenoxy)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3279228
N'-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)acetohydrazide
CID 7974521
2-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide
CID 8515699

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide (CID 8614556) is 2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide is COc1ccc(S(=O)(=O)NNC(=O)COc2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide?
The InChIKey is RQYAVNIEOXISHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O5S/c1-22-11-6-8-12(9-7-11)24(20,21)18-17-15(19)10-23-14-5-3-2-4-13(14)16/h2-9,18H,10H2,1H3,(H,17,19).
What are the key properties of 2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide?
2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide has a molecular weight of 354.36 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 8614556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).