1-[3-(benzenesulfonyl)quinoxalin-2-yl]piperidin-3-ol

C19H19N3O3S — CID 70693865

IUPAC1-[3-(benzenesulfonyl)quinoxalin-2-yl]piperidin-3-ol
SMILESO=S(=O)(c1ccccc1)c1nc2ccccc2nc1N1CCCC(O)C1
InChIInChI=1S/C19H19N3O3S/c23-14-7-6-12-22(13-14)18-19(21-17-11-5-4-10-16(17)20-18)26(24,25)15-8-2-1-3-9-15/h1-5,8-11,14,23H,6-7,12-13H2
InChIKeyAARFFAMWQJWKGQ-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.42
Rot. Bonds3

About 1-[3-(benzenesulfonyl)quinoxalin-2-yl]piperidin-3-ol

1-[3-(benzenesulfonyl)quinoxalin-2-yl]piperidin-3-ol (PubChem CID 70693865) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-[3-(benzenesulfonyl)quinoxalin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-(benzenesulfonyl)quinoxalin-2-yl]piperidin-3-ol
PubChem CID70693865
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name1-[3-(benzenesulfonyl)quinoxalin-2-yl]piperidin-3-ol
SMILESO=S(=O)(c1ccccc1)c1nc2ccccc2nc1N1CCCC(O)C1
InChIInChI=1S/C19H19N3O3S/c23-14-7-6-12-22(13-14)18-19(21-17-11-5-4-10-16(17)20-18)26(24,25)15-8-2-1-3-9-15/h1-5,8-11,14,23H,6-7,12-13H2
InChIKeyAARFFAMWQJWKGQ-UHFFFAOYSA-N
XLogP2.42
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine
CID 56670219
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-[(4-Bromophenyl)sulfonyl]-2-quinoxalinyl]-4-piperidinol
CID 70695983
2,5-difluoro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
CID 2560544
2-(4-Methylpiperazin-1-yl)-3-phenylsulfanylquinoxaline
CID 24853529
2-(3-Morpholinoquinoxalin-2-yl)-2-(phenylsulfonyl)acetonitrile
CID 3735810
N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide
CID 4106272
2-[(3-Methylsulfonylquinoxalin-2-yl)amino]ethanol
CID 118726529
1-[3-(4-Fluorophenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol
CID 70681275
2-(Benzenesulfonyl)-3-pyrrolidin-1-ylquinoxaline
CID 70681276

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzenesulfonyl)quinoxalin-2-yl]piperidin-3-ol?
The IUPAC name of 1-[3-(benzenesulfonyl)quinoxalin-2-yl]piperidin-3-ol (CID 70693865) is 1-[3-(benzenesulfonyl)quinoxalin-2-yl]piperidin-3-ol.
What is the SMILES notation for 1-[3-(benzenesulfonyl)quinoxalin-2-yl]piperidin-3-ol?
The canonical SMILES for 1-[3-(benzenesulfonyl)quinoxalin-2-yl]piperidin-3-ol is O=S(=O)(c1ccccc1)c1nc2ccccc2nc1N1CCCC(O)C1.
What is the InChIKey of 1-[3-(benzenesulfonyl)quinoxalin-2-yl]piperidin-3-ol?
The InChIKey is AARFFAMWQJWKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-14-7-6-12-22(13-14)18-19(21-17-11-5-4-10-16(17)20-18)26(24,25)15-8-2-1-3-9-15/h1-5,8-11,14,23H,6-7,12-13H2.
What are the key properties of 1-[3-(benzenesulfonyl)quinoxalin-2-yl]piperidin-3-ol?
1-[3-(benzenesulfonyl)quinoxalin-2-yl]piperidin-3-ol has a molecular weight of 369.45 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfonyl)quinoxalin-2-yl]piperidin-3-ol is sourced from PubChem (CID 70693865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).