2-(benzenesulfonyl)-3-pyrrolidin-1-ylquinoxaline

C18H17N3O2S — CID 70681276

IUPAC2-(benzenesulfonyl)-3-pyrrolidin-1-ylquinoxaline
SMILESO=S(=O)(c1ccccc1)c1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C18H17N3O2S/c22-24(23,14-8-2-1-3-9-14)18-17(21-12-6-7-13-21)19-15-10-4-5-11-16(15)20-18/h1-5,8-11H,6-7,12-13H2
InChIKeyZUZUXSXOGVJVPB-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.06
Rot. Bonds3

About 2-(benzenesulfonyl)-3-pyrrolidin-1-ylquinoxaline

2-(benzenesulfonyl)-3-pyrrolidin-1-ylquinoxaline (PubChem CID 70681276) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-pyrrolidin-1-ylquinoxaline.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-pyrrolidin-1-ylquinoxaline
PubChem CID70681276
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(benzenesulfonyl)-3-pyrrolidin-1-ylquinoxaline
SMILESO=S(=O)(c1ccccc1)c1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C18H17N3O2S/c22-24(23,14-8-2-1-3-9-14)18-17(21-12-6-7-13-21)19-15-10-4-5-11-16(15)20-18/h1-5,8-11H,6-7,12-13H2
InChIKeyZUZUXSXOGVJVPB-UHFFFAOYSA-N
XLogP3.06
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide
CID 2319163
2-(Benzenesulfonyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile
CID 663431
3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56663384
3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine
CID 56670219
3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56683748
1-[3-(Benzenesulfonyl)quinoxalin-2-yl]piperidin-4-ol
CID 70685462
2-(benzenesulfonyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxaline
CID 70689663
4-[3-(Benzenesulfonyl)quinoxalin-2-yl]morpholine
CID 70691801
1-[3-(Benzenesulfonyl)quinoxalin-2-yl]piperidin-3-ol
CID 70693865
N-butyl-3-methylsulfonylquinoxalin-2-amine
CID 118726528
4-amino-N-[3-(azepan-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 389572
2-(Benzenesulfonyl)-2-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]acetonitrile
CID 662247

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3-pyrrolidin-1-ylquinoxaline?
The IUPAC name of 2-(benzenesulfonyl)-3-pyrrolidin-1-ylquinoxaline (CID 70681276) is 2-(benzenesulfonyl)-3-pyrrolidin-1-ylquinoxaline.
What is the SMILES notation for 2-(benzenesulfonyl)-3-pyrrolidin-1-ylquinoxaline?
The canonical SMILES for 2-(benzenesulfonyl)-3-pyrrolidin-1-ylquinoxaline is O=S(=O)(c1ccccc1)c1nc2ccccc2nc1N1CCCC1.
What is the InChIKey of 2-(benzenesulfonyl)-3-pyrrolidin-1-ylquinoxaline?
The InChIKey is ZUZUXSXOGVJVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-24(23,14-8-2-1-3-9-14)18-17(21-12-6-7-13-21)19-15-10-4-5-11-16(15)20-18/h1-5,8-11H,6-7,12-13H2.
What are the key properties of 2-(benzenesulfonyl)-3-pyrrolidin-1-ylquinoxaline?
2-(benzenesulfonyl)-3-pyrrolidin-1-ylquinoxaline has a molecular weight of 339.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-pyrrolidin-1-ylquinoxaline is sourced from PubChem (CID 70681276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).