N'-[5-fluoro-2-(2-methylsulfonylhydrazinyl)pyrimidin-4-yl]methanesulfonohydrazide

C6H11FN6O4S2 — CID 4237726

IUPACN'-[5-fluoro-2-(2-methylsulfonylhydrazinyl)pyrimidin-4-yl]methanesulfonohydrazide
SMILESCS(=O)(=O)NNc1ncc(F)c(NNS(C)(=O)=O)n1
InChIInChI=1S/C6H11FN6O4S2/c1-18(14,15)12-10-5-4(7)3-8-6(9-5)11-13-19(2,16)17/h3,12-13H,1-2H3,(H2,8,9,10,11)
InChIKeyWPENVENYNVEEIU-UHFFFAOYSA-N
MW314.32 g/mol
LogP-1.63
Rot. Bonds6

About N'-[5-fluoro-2-(2-methylsulfonylhydrazinyl)pyrimidin-4-yl]methanesulfonohydrazide

N'-[5-fluoro-2-(2-methylsulfonylhydrazinyl)pyrimidin-4-yl]methanesulfonohydrazide (PubChem CID 4237726) has the molecular formula C6H11FN6O4S2 and a molecular weight of 314.32 g/mol. Its IUPAC name is N'-[5-fluoro-2-(2-methylsulfonylhydrazinyl)pyrimidin-4-yl]methanesulfonohydrazide.

Molecular Properties

Compound NameN'-[5-fluoro-2-(2-methylsulfonylhydrazinyl)pyrimidin-4-yl]methanesulfonohydrazide
PubChem CID4237726
Molecular FormulaC6H11FN6O4S2
Molecular Weight314.32 g/mol
Exact Mass314.03
IUPAC NameN'-[5-fluoro-2-(2-methylsulfonylhydrazinyl)pyrimidin-4-yl]methanesulfonohydrazide
SMILESCS(=O)(=O)NNc1ncc(F)c(NNS(C)(=O)=O)n1
InChIInChI=1S/C6H11FN6O4S2/c1-18(14,15)12-10-5-4(7)3-8-6(9-5)11-13-19(2,16)17/h3,12-13H,1-2H3,(H2,8,9,10,11)
InChIKeyWPENVENYNVEEIU-UHFFFAOYSA-N
XLogP-1.63
TPSA142.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[5-fluoro-2-(2-methylsulfonylhydrazinyl)pyrimidin-4-yl]methanesulfonohydrazide?
The IUPAC name of N'-[5-fluoro-2-(2-methylsulfonylhydrazinyl)pyrimidin-4-yl]methanesulfonohydrazide (CID 4237726) is N'-[5-fluoro-2-(2-methylsulfonylhydrazinyl)pyrimidin-4-yl]methanesulfonohydrazide.
What is the SMILES notation for N'-[5-fluoro-2-(2-methylsulfonylhydrazinyl)pyrimidin-4-yl]methanesulfonohydrazide?
The canonical SMILES for N'-[5-fluoro-2-(2-methylsulfonylhydrazinyl)pyrimidin-4-yl]methanesulfonohydrazide is CS(=O)(=O)NNc1ncc(F)c(NNS(C)(=O)=O)n1.
What is the InChIKey of N'-[5-fluoro-2-(2-methylsulfonylhydrazinyl)pyrimidin-4-yl]methanesulfonohydrazide?
The InChIKey is WPENVENYNVEEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN6O4S2/c1-18(14,15)12-10-5-4(7)3-8-6(9-5)11-13-19(2,16)17/h3,12-13H,1-2H3,(H2,8,9,10,11).
What are the key properties of N'-[5-fluoro-2-(2-methylsulfonylhydrazinyl)pyrimidin-4-yl]methanesulfonohydrazide?
N'-[5-fluoro-2-(2-methylsulfonylhydrazinyl)pyrimidin-4-yl]methanesulfonohydrazide has a molecular weight of 314.32 g/mol, XLogP of -1.63, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-fluoro-2-(2-methylsulfonylhydrazinyl)pyrimidin-4-yl]methanesulfonohydrazide is sourced from PubChem (CID 4237726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).