2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine

C18H20Cl2N4O3S — CID 124741053

IUPAC2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cnc(Cl)c(Cl)c1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1
InChIInChI=1S/C18H20Cl2N4O3S/c19-15-10-14(11-22-17(15)20)28(25,26)24-9-5-13(12-24)27-16-4-3-6-21-18(16)23-7-1-2-8-23/h3-4,6,10-11,13H,1-2,5,7-9,12H2/t13-/m1/s1
InChIKeyVROVITOSNQCWAY-CYBMUJFWSA-N
MW443.36 g/mol
LogP3.23
Rot. Bonds5

About 2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine

2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine (PubChem CID 124741053) has the molecular formula C18H20Cl2N4O3S and a molecular weight of 443.36 g/mol. Its IUPAC name is 2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine
PubChem CID124741053
Molecular FormulaC18H20Cl2N4O3S
Molecular Weight443.36 g/mol
Exact Mass442.06
IUPAC Name2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cnc(Cl)c(Cl)c1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1
InChIInChI=1S/C18H20Cl2N4O3S/c19-15-10-14(11-22-17(15)20)28(25,26)24-9-5-13(12-24)27-16-4-3-6-21-18(16)23-7-1-2-8-23/h3-4,6,10-11,13H,1-2,5,7-9,12H2/t13-/m1/s1
InChIKeyVROVITOSNQCWAY-CYBMUJFWSA-N
XLogP3.23
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine
CID 124888903
1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine
CID 128999371
2-methyl-3-[1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 128998572
2-methyl-3-[(3R)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129337329
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]azepane
CID 4730925
(3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 103834699
2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 64608977
5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 129328651
3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine
CID 119100292
8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline
CID 121157275
3-chloro-4-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylbenzonitrile
CID 128998573
3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine
CID 129338982

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine?
The IUPAC name of 2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine (CID 124741053) is 2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine?
The canonical SMILES for 2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine is O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1.
What is the InChIKey of 2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine?
The InChIKey is VROVITOSNQCWAY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20Cl2N4O3S/c19-15-10-14(11-22-17(15)20)28(25,26)24-9-5-13(12-24)27-16-4-3-6-21-18(16)23-7-1-2-8-23/h3-4,6,10-11,13H,1-2,5,7-9,12H2/t13-/m1/s1.
What are the key properties of 2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine?
2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine has a molecular weight of 443.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 124741053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).