N'-(2-fluoro-5-methylsulfonylphenyl)sulfonylacetohydrazide

C9H11FN2O5S2 — CID 61217431

IUPACN'-(2-fluoro-5-methylsulfonylphenyl)sulfonylacetohydrazide
SMILESCC(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C9H11FN2O5S2/c1-6(13)11-12-19(16,17)9-5-7(18(2,14)15)3-4-8(9)10/h3-5,12H,1-2H3,(H,11,13)
InChIKeyZAEOEESEERPYGN-UHFFFAOYSA-N
MW310.33 g/mol
LogP-0.44
Rot. Bonds4

About N'-(2-fluoro-5-methylsulfonylphenyl)sulfonylacetohydrazide

N'-(2-fluoro-5-methylsulfonylphenyl)sulfonylacetohydrazide (PubChem CID 61217431) has the molecular formula C9H11FN2O5S2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N'-(2-fluoro-5-methylsulfonylphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound NameN'-(2-fluoro-5-methylsulfonylphenyl)sulfonylacetohydrazide
PubChem CID61217431
Molecular FormulaC9H11FN2O5S2
Molecular Weight310.33 g/mol
Exact Mass310.01
IUPAC NameN'-(2-fluoro-5-methylsulfonylphenyl)sulfonylacetohydrazide
SMILESCC(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C9H11FN2O5S2/c1-6(13)11-12-19(16,17)9-5-7(18(2,14)15)3-4-8(9)10/h3-5,12H,1-2H3,(H,11,13)
InChIKeyZAEOEESEERPYGN-UHFFFAOYSA-N
XLogP-0.44
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 5-0.44
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'-(3,4-difluorophenyl)sulfonylacetohydrazide
CID 8500703
2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride
CID 122236189
N'-(2,5-dichlorophenyl)sulfonylacetohydrazide
CID 8500705
N-ethoxy-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 64973761
2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 60918249
N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 66177540
2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide
CID 83058758
(2R)-2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 80755904
3-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 43455216
1-(2-fluoro-5-methylsulfonylphenyl)ethanone
CID 83409937
2-fluoro-5-methylsulfonyl-N-pentan-2-ylbenzenesulfonamide
CID 43454734
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylsulfonylbenzenesulfonamide
CID 104868981

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-5-methylsulfonylphenyl)sulfonylacetohydrazide?
The IUPAC name of N'-(2-fluoro-5-methylsulfonylphenyl)sulfonylacetohydrazide (CID 61217431) is N'-(2-fluoro-5-methylsulfonylphenyl)sulfonylacetohydrazide.
What is the SMILES notation for N'-(2-fluoro-5-methylsulfonylphenyl)sulfonylacetohydrazide?
The canonical SMILES for N'-(2-fluoro-5-methylsulfonylphenyl)sulfonylacetohydrazide is CC(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F.
What is the InChIKey of N'-(2-fluoro-5-methylsulfonylphenyl)sulfonylacetohydrazide?
The InChIKey is ZAEOEESEERPYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O5S2/c1-6(13)11-12-19(16,17)9-5-7(18(2,14)15)3-4-8(9)10/h3-5,12H,1-2H3,(H,11,13).
What are the key properties of N'-(2-fluoro-5-methylsulfonylphenyl)sulfonylacetohydrazide?
N'-(2-fluoro-5-methylsulfonylphenyl)sulfonylacetohydrazide has a molecular weight of 310.33 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-5-methylsulfonylphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 61217431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).