1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol

C20H21N3O3S — CID 70683363

IUPAC1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol
SMILESCc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCCC(O)C2)cc1
InChIInChI=1S/C20H21N3O3S/c1-14-8-10-16(11-9-14)27(25,26)20-19(23-12-4-5-15(24)13-23)21-17-6-2-3-7-18(17)22-20/h2-3,6-11,15,24H,4-5,12-13H2,1H3
InChIKeyQUCFBBLJJJLZIR-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.73
Rot. Bonds3

About 1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol

1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol (PubChem CID 70683363) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol
PubChem CID70683363
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol
SMILESCc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCCC(O)C2)cc1
InChIInChI=1S/C20H21N3O3S/c1-14-8-10-16(11-9-14)27(25,26)20-19(23-12-4-5-15(24)13-23)21-17-6-2-3-7-18(17)22-20/h2-3,6-11,15,24H,4-5,12-13H2,1H3
InChIKeyQUCFBBLJJJLZIR-UHFFFAOYSA-N
XLogP2.73
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol?
The IUPAC name of 1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol (CID 70683363) is 1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol.
What is the SMILES notation for 1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol?
The canonical SMILES for 1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol is Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCCC(O)C2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol?
The InChIKey is QUCFBBLJJJLZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14-8-10-16(11-9-14)27(25,26)20-19(23-12-4-5-15(24)13-23)21-17-6-2-3-7-18(17)22-20/h2-3,6-11,15,24H,4-5,12-13H2,1H3.
What are the key properties of 1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol?
1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol has a molecular weight of 383.47 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol is sourced from PubChem (CID 70683363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).