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

C19H18BrN3O3S — CID 70687605

IUPAC1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1N1CCCC(O)C1
InChIInChI=1S/C19H18BrN3O3S/c20-13-7-9-15(10-8-13)27(25,26)19-18(23-11-3-4-14(24)12-23)21-16-5-1-2-6-17(16)22-19/h1-2,5-10,14,24H,3-4,11-12H2
InChIKeyJZZJKKHCTJBOAT-UHFFFAOYSA-N
MW448.34 g/mol
LogP3.19
Rot. Bonds3

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

1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol (PubChem CID 70687605) 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-3-ol.

Molecular Properties

Compound Name1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol
PubChem CID70687605
Molecular FormulaC19H18BrN3O3S
Molecular Weight448.34 g/mol
Exact Mass447.03
IUPAC Name1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1N1CCCC(O)C1
InChIInChI=1S/C19H18BrN3O3S/c20-13-7-9-15(10-8-13)27(25,26)19-18(23-11-3-4-14(24)12-23)21-16-5-1-2-6-17(16)22-19/h1-2,5-10,14,24H,3-4,11-12H2
InChIKeyJZZJKKHCTJBOAT-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

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)sulfonyl]-2-quinoxalinyl]-4-piperidinol
CID 70695983
1-[3-(4-Bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide
CID 141267286
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-Methylphenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol
CID 70689661
2-(4-Bromophenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline
CID 70689664
2-(4-bromophenyl)sulfonyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxaline
CID 70695984

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol?
The IUPAC name of 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol (CID 70687605) is 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol.
What is the SMILES notation for 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol?
The canonical SMILES for 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol is O=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1N1CCCC(O)C1.
What is the InChIKey of 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol?
The InChIKey is JZZJKKHCTJBOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3S/c20-13-7-9-15(10-8-13)27(25,26)19-18(23-11-3-4-14(24)12-23)21-16-5-1-2-6-17(16)22-19/h1-2,5-10,14,24H,3-4,11-12H2.
What are the key properties of 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol?
1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-3-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-3-ol is sourced from PubChem (CID 70687605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).