8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline

C25H21ClN2O3S — CID 121157275

IUPAC8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline
SMILESO=S(=O)(c1cccc(-c2ccc(Cl)cc2)c1)N1CCC(Oc2cccc3cccnc23)C1
InChIInChI=1S/C25H21ClN2O3S/c26-21-11-9-18(10-12-21)20-5-1-7-23(16-20)32(29,30)28-15-13-22(17-28)31-24-8-2-4-19-6-3-14-27-25(19)24/h1-12,14,16,22H,13,15,17H2
InChIKeyFJYLHAPTIBTTRE-UHFFFAOYSA-N
MW464.97 g/mol
LogP5.40
Rot. Bonds5

About 8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline

8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline (PubChem CID 121157275) has the molecular formula C25H21ClN2O3S and a molecular weight of 464.97 g/mol. Its IUPAC name is 8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline.

Molecular Properties

Compound Name8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline
PubChem CID121157275
Molecular FormulaC25H21ClN2O3S
Molecular Weight464.97 g/mol
Exact Mass464.10
IUPAC Name8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline
SMILESO=S(=O)(c1cccc(-c2ccc(Cl)cc2)c1)N1CCC(Oc2cccc3cccnc23)C1
InChIInChI=1S/C25H21ClN2O3S/c26-21-11-9-18(10-12-21)20-5-1-7-23(16-20)32(29,30)28-15-13-22(17-28)31-24-8-2-4-19-6-3-14-27-25(19)24/h1-12,14,16,22H,13,15,17H2
InChIKeyFJYLHAPTIBTTRE-UHFFFAOYSA-N
XLogP5.40
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.97
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
CID 124760482
8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
CID 124759299
8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline
CID 121157270
3-methyl-5-(3-quinolin-8-yloxypyrrolidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 91815124
8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline
CID 124760261
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
2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150766
2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
CID 121157257
2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine
CID 124741053
2-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636398
4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine
CID 90589542

Frequently Asked Questions

What is the IUPAC name of 8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline?
The IUPAC name of 8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline (CID 121157275) is 8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline.
What is the SMILES notation for 8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline?
The canonical SMILES for 8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline is O=S(=O)(c1cccc(-c2ccc(Cl)cc2)c1)N1CCC(Oc2cccc3cccnc23)C1.
What is the InChIKey of 8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline?
The InChIKey is FJYLHAPTIBTTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3S/c26-21-11-9-18(10-12-21)20-5-1-7-23(16-20)32(29,30)28-15-13-22(17-28)31-24-8-2-4-19-6-3-14-27-25(19)24/h1-12,14,16,22H,13,15,17H2.
What are the key properties of 8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline?
8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline has a molecular weight of 464.97 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline is sourced from PubChem (CID 121157275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).