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

C20H21N3O3S — CID 70689661

IUPAC1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol
SMILESCc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCC(O)CC2)cc1
InChIInChI=1S/C20H21N3O3S/c1-14-6-8-16(9-7-14)27(25,26)20-19(23-12-10-15(24)11-13-23)21-17-4-2-3-5-18(17)22-20/h2-9,15,24H,10-13H2,1H3
InChIKeyOAGNYOPRRVXLNN-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.73
Rot. Bonds3

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

1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol (PubChem CID 70689661) 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-4-ol.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol
PubChem CID70689661
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol
SMILESCc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCC(O)CC2)cc1
InChIInChI=1S/C20H21N3O3S/c1-14-6-8-16(9-7-14)27(25,26)20-19(23-12-10-15(24)11-13-23)21-17-4-2-3-5-18(17)22-20/h2-9,15,24H,10-13H2,1H3
InChIKeyOAGNYOPRRVXLNN-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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Related Compounds

N,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide
CID 2319163
3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56663384
3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 56670252
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
1-[3-[(4-Bromophenyl)sulfonyl]-2-quinoxalinyl]-4-piperidinol
CID 70695983
[(4-Methylphenyl)sulfonyl](3-morpholin-4-ylquinoxalin-2-yl)amine
CID 2305758
2-(4-Methylphenyl)sulfonyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetonitrile
CID 661002
Ethyl 4-[3-[cyano-(4-methylphenyl)sulfonylmethyl]quinoxalin-2-yl]piperazine-1-carboxylate
CID 661399
2-(3-Morpholinoquinoxalin-2-yl)-2-(m-tolylsulfonyl)acetonitrile
CID 663584

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol (CID 70689661) is 1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol is Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCC(O)CC2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol?
The InChIKey is OAGNYOPRRVXLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14-6-8-16(9-7-14)27(25,26)20-19(23-12-10-15(24)11-13-23)21-17-4-2-3-5-18(17)22-20/h2-9,15,24H,10-13H2,1H3.
What are the key properties of 1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol?
1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidin-4-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-4-ol is sourced from PubChem (CID 70689661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).