8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline

C19H17BrN2O3S — CID 124759299

IUPAC8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
SMILESO=S(=O)(c1ccc(Br)cc1)N1CC[C@H](Oc2cccc3cccnc23)C1
InChIInChI=1S/C19H17BrN2O3S/c20-15-6-8-17(9-7-15)26(23,24)22-12-10-16(13-22)25-18-5-1-3-14-4-2-11-21-19(14)18/h1-9,11,16H,10,12-13H2/t16-/m0/s1
InChIKeyCLNUSJRPWIOYQV-INIZCTEOSA-N
MW433.33 g/mol
LogP3.84
Rot. Bonds4

About 8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline

8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline (PubChem CID 124759299) has the molecular formula C19H17BrN2O3S and a molecular weight of 433.33 g/mol. Its IUPAC name is 8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline.

Molecular Properties

Compound Name8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
PubChem CID124759299
Molecular FormulaC19H17BrN2O3S
Molecular Weight433.33 g/mol
Exact Mass432.01
IUPAC Name8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
SMILESO=S(=O)(c1ccc(Br)cc1)N1CC[C@H](Oc2cccc3cccnc23)C1
InChIInChI=1S/C19H17BrN2O3S/c20-15-6-8-17(9-7-15)26(23,24)22-12-10-16(13-22)25-18-5-1-3-14-4-2-11-21-19(14)18/h1-9,11,16H,10,12-13H2/t16-/m0/s1
InChIKeyCLNUSJRPWIOYQV-INIZCTEOSA-N
XLogP3.84
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
CID 124760482
8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline
CID 124760261
8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline
CID 121157275
3-methyl-5-(3-quinolin-8-yloxypyrrolidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 91815124
2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
CID 124760007
8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline
CID 121157270
2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636355
2-methyl-3-[(3R)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129337329
2-methyl-3-[1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 128998572
8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline
CID 171701848
4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine
CID 122256501
2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one
CID 124846967

Frequently Asked Questions

What is the IUPAC name of 8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline?
The IUPAC name of 8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline (CID 124759299) is 8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline.
What is the SMILES notation for 8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline?
The canonical SMILES for 8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline is O=S(=O)(c1ccc(Br)cc1)N1CC[C@H](Oc2cccc3cccnc23)C1.
What is the InChIKey of 8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline?
The InChIKey is CLNUSJRPWIOYQV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17BrN2O3S/c20-15-6-8-17(9-7-15)26(23,24)22-12-10-16(13-22)25-18-5-1-3-14-4-2-11-21-19(14)18/h1-9,11,16H,10,12-13H2/t16-/m0/s1.
What are the key properties of 8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline?
8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline has a molecular weight of 433.33 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline is sourced from PubChem (CID 124759299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).