4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile

C15H14N4O3S — CID 91627303

IUPAC4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCC(Oc3cccnn3)C2)cc1
InChIInChI=1S/C15H14N4O3S/c16-10-12-3-5-14(6-4-12)23(20,21)19-9-7-13(11-19)22-15-2-1-8-17-18-15/h1-6,8,13H,7,9,11H2
InChIKeyHWXGZLQRBVBQEL-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.19
Rot. Bonds4

About 4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile

4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile (PubChem CID 91627303) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile.

Molecular Properties

Compound Name4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile
PubChem CID91627303
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCC(Oc3cccnn3)C2)cc1
InChIInChI=1S/C15H14N4O3S/c16-10-12-3-5-14(6-4-12)23(20,21)19-9-7-13(11-19)22-15-2-1-8-17-18-15/h1-6,8,13H,7,9,11H2
InChIKeyHWXGZLQRBVBQEL-UHFFFAOYSA-N
XLogP1.19
TPSA96.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 100630089
3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624713
3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638570
3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638533
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638530
3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624540
3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638544
methyl 4-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylbenzoate
CID 71799416
3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638526
3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638513
4-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylbenzonitrile
CID 122258202
3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100625200

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile?
The IUPAC name of 4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile (CID 91627303) is 4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile.
What is the SMILES notation for 4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile?
The canonical SMILES for 4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile is N#Cc1ccc(S(=O)(=O)N2CCC(Oc3cccnn3)C2)cc1.
What is the InChIKey of 4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile?
The InChIKey is HWXGZLQRBVBQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c16-10-12-3-5-14(6-4-12)23(20,21)19-9-7-13(11-19)22-15-2-1-8-17-18-15/h1-6,8,13H,7,9,11H2.
What are the key properties of 4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile?
4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile has a molecular weight of 330.37 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile is sourced from PubChem (CID 91627303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).