3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine

C12H12ClN3O3S2 — CID 100624540

IUPAC3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CC[C@@H](Oc2cccnn2)C1
InChIInChI=1S/C12H12ClN3O3S2/c13-10-3-4-12(20-10)21(17,18)16-7-5-9(8-16)19-11-2-1-6-14-15-11/h1-4,6,9H,5,7-8H2/t9-/m1/s1
InChIKeyPMEFWAWOTOAFAR-SECBINFHSA-N
MW345.83 g/mol
LogP2.03
Rot. Bonds4

About 3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine

3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine (PubChem CID 100624540) has the molecular formula C12H12ClN3O3S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine.

Molecular Properties

Compound Name3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
PubChem CID100624540
Molecular FormulaC12H12ClN3O3S2
Molecular Weight345.83 g/mol
Exact Mass345.00
IUPAC Name3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CC[C@@H](Oc2cccnn2)C1
InChIInChI=1S/C12H12ClN3O3S2/c13-10-3-4-12(20-10)21(17,18)16-7-5-9(8-16)19-11-2-1-6-14-15-11/h1-4,6,9H,5,7-8H2/t9-/m1/s1
InChIKeyPMEFWAWOTOAFAR-SECBINFHSA-N
XLogP2.03
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine?
The IUPAC name of 3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine (CID 100624540) is 3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine.
What is the SMILES notation for 3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine?
The canonical SMILES for 3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine is O=S(=O)(c1ccc(Cl)s1)N1CC[C@@H](Oc2cccnn2)C1.
What is the InChIKey of 3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine?
The InChIKey is PMEFWAWOTOAFAR-SECBINFHSA-N. The full InChI is InChI=1S/C12H12ClN3O3S2/c13-10-3-4-12(20-10)21(17,18)16-7-5-9(8-16)19-11-2-1-6-14-15-11/h1-4,6,9H,5,7-8H2/t9-/m1/s1.
What are the key properties of 3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine?
3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine has a molecular weight of 345.83 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine is sourced from PubChem (CID 100624540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).