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

C19H18BrN3O3S — CID 70695983

IUPAC1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1N1CCC(O)CC1
InChIInChI=1S/C19H18BrN3O3S/c20-13-5-7-15(8-6-13)27(25,26)19-18(23-11-9-14(24)10-12-23)21-16-3-1-2-4-17(16)22-19/h1-8,14,24H,9-12H2
InChIKeyRGQAORGLDQFYED-UHFFFAOYSA-N
MW448.34 g/mol
LogP3.19
Rot. Bonds3

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

1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol (PubChem CID 70695983) has the molecular formula C19H18BrN3O3S and a molecular weight of 448.34 g/mol. Its IUPAC name is 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol
PubChem CID70695983
Molecular FormulaC19H18BrN3O3S
Molecular Weight448.34 g/mol
Exact Mass447.03
IUPAC Name1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1N1CCC(O)CC1
InChIInChI=1S/C19H18BrN3O3S/c20-13-5-7-15(8-6-13)27(25,26)19-18(23-11-9-14(24)10-12-23)21-16-3-1-2-4-17(16)22-19/h1-8,14,24H,9-12H2
InChIKeyRGQAORGLDQFYED-UHFFFAOYSA-N
XLogP3.19
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-[3-(Benzenesulfonyl)quinoxalin-2-yl]morpholine
CID 70691801
1-[3-(Benzenesulfonyl)quinoxalin-2-yl]piperidin-3-ol
CID 70693865
1-[3-(4-Bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide
CID 141267286
4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 2055386
1-[3-(4-Fluorophenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol
CID 70681275
1-[3-(4-Fluorophenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol
CID 70683362
1-[3-(4-Methylphenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol
CID 70683363
1-[3-(4-Bromophenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol
CID 70687605

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol (CID 70695983) is 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol is O=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1N1CCC(O)CC1.
What is the InChIKey of 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol?
The InChIKey is RGQAORGLDQFYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3S/c20-13-5-7-15(8-6-13)27(25,26)19-18(23-11-9-14(24)10-12-23)21-16-3-1-2-4-17(16)22-19/h1-8,14,24H,9-12H2.
What are the key properties of 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol?
1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol has a molecular weight of 448.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol is sourced from PubChem (CID 70695983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).