3-(3-ethylpyrrolidin-1-yl)sulfonyl-6-fluoropyridazine

C10H14FN3O2S — CID 138009406

IUPAC3-(3-ethylpyrrolidin-1-yl)sulfonyl-6-fluoropyridazine
SMILESCCC1CCN(S(=O)(=O)c2ccc(F)nn2)C1
InChIInChI=1S/C10H14FN3O2S/c1-2-8-5-6-14(7-8)17(15,16)10-4-3-9(11)12-13-10/h3-4,8H,2,5-7H2,1H3
InChIKeyJRRQPQLCJHRIDE-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.04
Rot. Bonds3

About 3-(3-ethylpyrrolidin-1-yl)sulfonyl-6-fluoropyridazine

3-(3-ethylpyrrolidin-1-yl)sulfonyl-6-fluoropyridazine (PubChem CID 138009406) has the molecular formula C10H14FN3O2S and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(3-ethylpyrrolidin-1-yl)sulfonyl-6-fluoropyridazine.

Molecular Properties

Compound Name3-(3-ethylpyrrolidin-1-yl)sulfonyl-6-fluoropyridazine
PubChem CID138009406
Molecular FormulaC10H14FN3O2S
Molecular Weight259.31 g/mol
Exact Mass259.08
IUPAC Name3-(3-ethylpyrrolidin-1-yl)sulfonyl-6-fluoropyridazine
SMILESCCC1CCN(S(=O)(=O)c2ccc(F)nn2)C1
InChIInChI=1S/C10H14FN3O2S/c1-2-8-5-6-14(7-8)17(15,16)10-4-3-9(11)12-13-10/h3-4,8H,2,5-7H2,1H3
InChIKeyJRRQPQLCJHRIDE-UHFFFAOYSA-N
XLogP1.04
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole
CID 102693338
5-(3-ethylpyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide
CID 114614680
1-[2-(chloromethyl)phenyl]sulfonyl-3-ethylpyrrolidine
CID 113419395
5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 113418709
5-chloro-3-(3-ethylpyrrolidin-1-yl)sulfonyl-2-fluoroaniline
CID 103052019
4-bromo-2-(3-ethylpyrrolidin-1-yl)sulfonyl-5-fluoroaniline
CID 106492036
5-(chloromethyl)-2-(3-propylpyrrolidin-1-yl)sulfonylpyridine
CID 113419404
1-(2-chloroethyl)-4-(3-ethylpyrrolidin-1-yl)sulfonylpyrazole
CID 113419392
4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline
CID 43584842
3-ethyl-1-naphthalen-1-ylsulfonylpiperidine
CID 114795787
[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 62064992
1-(2-bromo-4-fluorophenyl)sulfonyl-3-propylpyrrolidine
CID 112695935

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpyrrolidin-1-yl)sulfonyl-6-fluoropyridazine?
The IUPAC name of 3-(3-ethylpyrrolidin-1-yl)sulfonyl-6-fluoropyridazine (CID 138009406) is 3-(3-ethylpyrrolidin-1-yl)sulfonyl-6-fluoropyridazine.
What is the SMILES notation for 3-(3-ethylpyrrolidin-1-yl)sulfonyl-6-fluoropyridazine?
The canonical SMILES for 3-(3-ethylpyrrolidin-1-yl)sulfonyl-6-fluoropyridazine is CCC1CCN(S(=O)(=O)c2ccc(F)nn2)C1.
What is the InChIKey of 3-(3-ethylpyrrolidin-1-yl)sulfonyl-6-fluoropyridazine?
The InChIKey is JRRQPQLCJHRIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2S/c1-2-8-5-6-14(7-8)17(15,16)10-4-3-9(11)12-13-10/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 3-(3-ethylpyrrolidin-1-yl)sulfonyl-6-fluoropyridazine?
3-(3-ethylpyrrolidin-1-yl)sulfonyl-6-fluoropyridazine has a molecular weight of 259.31 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpyrrolidin-1-yl)sulfonyl-6-fluoropyridazine is sourced from PubChem (CID 138009406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).