N'-(4-acetylphenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide

C16H15FN2O5S — CID 8614591

IUPACN'-(4-acetylphenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide
SMILESCC(=O)c1ccc(S(=O)(=O)NNC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C16H15FN2O5S/c1-11(20)12-6-8-13(9-7-12)25(22,23)19-18-16(21)10-24-15-5-3-2-4-14(15)17/h2-9,19H,10H2,1H3,(H,18,21)
InChIKeyJTHIQCMYHSUJMJ-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.42
Rot. Bonds7

About N'-(4-acetylphenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide

N'-(4-acetylphenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide (PubChem CID 8614591) has the molecular formula C16H15FN2O5S and a molecular weight of 366.37 g/mol. Its IUPAC name is N'-(4-acetylphenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(4-acetylphenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide
PubChem CID8614591
Molecular FormulaC16H15FN2O5S
Molecular Weight366.37 g/mol
Exact Mass366.07
IUPAC NameN'-(4-acetylphenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide
SMILESCC(=O)c1ccc(S(=O)(=O)NNC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C16H15FN2O5S/c1-11(20)12-6-8-13(9-7-12)25(22,23)19-18-16(21)10-24-15-5-3-2-4-14(15)17/h2-9,19H,10H2,1H3,(H,18,21)
InChIKeyJTHIQCMYHSUJMJ-UHFFFAOYSA-N
XLogP1.42
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.42
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

2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide
CID 8614556
N'-(2,5-difluorophenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide
CID 9236867
2-(2-fluorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide
CID 9219508
N-[4-[[[2-(2-methoxyphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide
CID 8506456
2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide
CID 8506571
2-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide
CID 8515699
N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide
CID 8506530
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 9011525
2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide
CID 8505935
2-(2-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]acetamide
CID 35368287
2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide
CID 9471875
N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617244

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetylphenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide?
The IUPAC name of N'-(4-acetylphenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide (CID 8614591) is N'-(4-acetylphenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide.
What is the SMILES notation for N'-(4-acetylphenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide?
The canonical SMILES for N'-(4-acetylphenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide is CC(=O)c1ccc(S(=O)(=O)NNC(=O)COc2ccccc2F)cc1.
What is the InChIKey of N'-(4-acetylphenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide?
The InChIKey is JTHIQCMYHSUJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O5S/c1-11(20)12-6-8-13(9-7-12)25(22,23)19-18-16(21)10-24-15-5-3-2-4-14(15)17/h2-9,19H,10H2,1H3,(H,18,21).
What are the key properties of N'-(4-acetylphenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide?
N'-(4-acetylphenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide has a molecular weight of 366.37 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetylphenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide is sourced from PubChem (CID 8614591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).