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

C19H19N3O2S — CID 90667920

IUPAC2-(benzenesulfonyl)-3-piperidin-1-ylquinoxaline
SMILESO=S(=O)(c1ccccc1)c1nc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C19H19N3O2S/c23-25(24,15-9-3-1-4-10-15)19-18(22-13-7-2-8-14-22)20-16-11-5-6-12-17(16)21-19/h1,3-6,9-12H,2,7-8,13-14H2
InChIKeyWNQLPXMFHIVBII-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.45
Rot. Bonds3

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

2-(benzenesulfonyl)-3-piperidin-1-ylquinoxaline (PubChem CID 90667920) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-piperidin-1-ylquinoxaline.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-piperidin-1-ylquinoxaline
PubChem CID90667920
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-(benzenesulfonyl)-3-piperidin-1-ylquinoxaline
SMILESO=S(=O)(c1ccccc1)c1nc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C19H19N3O2S/c23-25(24,15-9-3-1-4-10-15)19-18(22-13-7-2-8-14-22)20-16-11-5-6-12-17(16)21-19/h1,3-6,9-12H,2,7-8,13-14H2
InChIKeyWNQLPXMFHIVBII-UHFFFAOYSA-N
XLogP3.45
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.45
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-{4-[(4-Chlorophenyl)sulfonyl]piperazino}-3-ethylquinoxaline
CID 2808993
2-(Benzenesulfonyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile
CID 663431
N-[3-[3-(1-piperidinylsulfonyl)anilino]-2-quinoxalinyl]benzenesulfonamide
CID 4092119
3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56663384
3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine
CID 56670219
3-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 56670250
4-N-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]benzene-1,4-diamine
CID 56673747
3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine
CID 56680381
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

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3-piperidin-1-ylquinoxaline?
The IUPAC name of 2-(benzenesulfonyl)-3-piperidin-1-ylquinoxaline (CID 90667920) is 2-(benzenesulfonyl)-3-piperidin-1-ylquinoxaline.
What is the SMILES notation for 2-(benzenesulfonyl)-3-piperidin-1-ylquinoxaline?
The canonical SMILES for 2-(benzenesulfonyl)-3-piperidin-1-ylquinoxaline is O=S(=O)(c1ccccc1)c1nc2ccccc2nc1N1CCCCC1.
What is the InChIKey of 2-(benzenesulfonyl)-3-piperidin-1-ylquinoxaline?
The InChIKey is WNQLPXMFHIVBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-25(24,15-9-3-1-4-10-15)19-18(22-13-7-2-8-14-22)20-16-11-5-6-12-17(16)21-19/h1,3-6,9-12H,2,7-8,13-14H2.
What are the key properties of 2-(benzenesulfonyl)-3-piperidin-1-ylquinoxaline?
2-(benzenesulfonyl)-3-piperidin-1-ylquinoxaline has a molecular weight of 353.45 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-piperidin-1-ylquinoxaline is sourced from PubChem (CID 90667920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).