N'-(3,4-difluorophenyl)sulfonylacetohydrazide

C8H8F2N2O3S — CID 8500703

IUPACN'-(3,4-difluorophenyl)sulfonylacetohydrazide
SMILESCC(=O)NNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C8H8F2N2O3S/c1-5(13)11-12-16(14,15)6-2-3-7(9)8(10)4-6/h2-4,12H,1H3,(H,11,13)
InChIKeyMQVQHIIUNBXMKM-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.29
Rot. Bonds3

About N'-(3,4-difluorophenyl)sulfonylacetohydrazide

N'-(3,4-difluorophenyl)sulfonylacetohydrazide (PubChem CID 8500703) has the molecular formula C8H8F2N2O3S and a molecular weight of 250.23 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)sulfonylacetohydrazide
PubChem CID8500703
Molecular FormulaC8H8F2N2O3S
Molecular Weight250.23 g/mol
Exact Mass250.02
IUPAC NameN'-(3,4-difluorophenyl)sulfonylacetohydrazide
SMILESCC(=O)NNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C8H8F2N2O3S/c1-5(13)11-12-16(14,15)6-2-3-7(9)8(10)4-6/h2-4,12H,1H3,(H,11,13)
InChIKeyMQVQHIIUNBXMKM-UHFFFAOYSA-N
XLogP0.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-fluoro-5-methylsulfonylphenyl)sulfonylacetohydrazide
CID 61217431
N-[(3,4-difluorophenyl)sulfonylamino]-N'-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)ethanimidamide
CID 123137150
N'-(3,4-difluorophenyl)sulfonyl-5-methylthiophene-2-carbohydrazide
CID 47952038
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
N'-(3,4-difluorophenyl)sulfonyl-2-(4-ethylphenoxy)acetohydrazide
CID 8614849
N'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide
CID 8505477
N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide
CID 47271271
2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263772
N'-(3,4-difluorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide
CID 8523745
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
N'-(2,5-dichlorophenyl)sulfonylacetohydrazide
CID 8500705
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluorophenyl)sulfonylacetohydrazide?
The IUPAC name of N'-(3,4-difluorophenyl)sulfonylacetohydrazide (CID 8500703) is N'-(3,4-difluorophenyl)sulfonylacetohydrazide.
What is the SMILES notation for N'-(3,4-difluorophenyl)sulfonylacetohydrazide?
The canonical SMILES for N'-(3,4-difluorophenyl)sulfonylacetohydrazide is CC(=O)NNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N'-(3,4-difluorophenyl)sulfonylacetohydrazide?
The InChIKey is MQVQHIIUNBXMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3S/c1-5(13)11-12-16(14,15)6-2-3-7(9)8(10)4-6/h2-4,12H,1H3,(H,11,13).
What are the key properties of N'-(3,4-difluorophenyl)sulfonylacetohydrazide?
N'-(3,4-difluorophenyl)sulfonylacetohydrazide has a molecular weight of 250.23 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 8500703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).