2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide

C16H17FN2O4S — CID 8614158

IUPAC2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C16H17FN2O4S/c1-11-6-7-12(2)15(8-11)23-10-16(20)18-19-24(21,22)14-5-3-4-13(17)9-14/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyOCMLGTSLPWZVOI-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.83
Rot. Bonds6

About 2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide

2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide (PubChem CID 8614158) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
PubChem CID8614158
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C16H17FN2O4S/c1-11-6-7-12(2)15(8-11)23-10-16(20)18-19-24(21,22)14-5-3-4-13(17)9-14/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyOCMLGTSLPWZVOI-UHFFFAOYSA-N
XLogP1.83
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505734
2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8505982
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide
CID 27568831
2-(2,5-dimethylphenoxy)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9094602
3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide
CID 27569057
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 55566297
N'-(3-bromophenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide
CID 8506063
2-(2,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 35728477
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide (CID 8614158) is 2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide is Cc1ccc(C)c(OCC(=O)NNS(=O)(=O)c2cccc(F)c2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide?
The InChIKey is OCMLGTSLPWZVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-11-6-7-12(2)15(8-11)23-10-16(20)18-19-24(21,22)14-5-3-4-13(17)9-14/h3-9,19H,10H2,1-2H3,(H,18,20).
What are the key properties of 2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide?
2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide has a molecular weight of 352.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 8614158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).