2-chloro-3-piperidin-4-ylsulfonylquinoxaline

C13H14ClN3O2S — CID 71639759

IUPAC2-chloro-3-piperidin-4-ylsulfonylquinoxaline
SMILESO=S(=O)(c1nc2ccccc2nc1Cl)C1CCNCC1
InChIInChI=1S/C13H14ClN3O2S/c14-12-13(17-11-4-2-1-3-10(11)16-12)20(18,19)9-5-7-15-8-6-9/h1-4,9,15H,5-8H2
InChIKeyARYBVAVYFSBGHU-UHFFFAOYSA-N
MW311.79 g/mol
LogP1.81
Rot. Bonds2

About 2-chloro-3-piperidin-4-ylsulfonylquinoxaline

2-chloro-3-piperidin-4-ylsulfonylquinoxaline (PubChem CID 71639759) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-chloro-3-piperidin-4-ylsulfonylquinoxaline.

Molecular Properties

Compound Name2-chloro-3-piperidin-4-ylsulfonylquinoxaline
PubChem CID71639759
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name2-chloro-3-piperidin-4-ylsulfonylquinoxaline
SMILESO=S(=O)(c1nc2ccccc2nc1Cl)C1CCNCC1
InChIInChI=1S/C13H14ClN3O2S/c14-12-13(17-11-4-2-1-3-10(11)16-12)20(18,19)9-5-7-15-8-6-9/h1-4,9,15H,5-8H2
InChIKeyARYBVAVYFSBGHU-UHFFFAOYSA-N
XLogP1.81
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline
CID 71639761
4-(2-chlorophenyl)sulfonylazepane
CID 115070332
2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline
CID 97163529
3-bromo-2-piperidin-4-ylsulfonylpyridine;hydrochloride
CID 90320188
2-chloro-3-(4-fluorophenyl)sulfonylquinoxaline
CID 141267279
2-chloro-3-(piperidin-4-ylmethylsulfanyl)quinoxaline;hydrochloride
CID 71639828
2-chloro-3-(piperidin-4-ylmethoxy)quinoxaline
CID 71640763
4-(2-bromophenyl)sulfonylpiperidine
CID 11023104
2-chloro-3-[(3R)-pyrrolidin-3-yl]sulfanylquinoxaline
CID 71639811
3-nitro-2-piperidin-4-ylsulfonylpyridine
CID 71635613
(3S)-3-(2-chlorophenyl)sulfonylpyrrolidine
CID 67495805
4-piperidin-4-ylsulfonylpyridine;hydrochloride
CID 71645560

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-piperidin-4-ylsulfonylquinoxaline?
The IUPAC name of 2-chloro-3-piperidin-4-ylsulfonylquinoxaline (CID 71639759) is 2-chloro-3-piperidin-4-ylsulfonylquinoxaline.
What is the SMILES notation for 2-chloro-3-piperidin-4-ylsulfonylquinoxaline?
The canonical SMILES for 2-chloro-3-piperidin-4-ylsulfonylquinoxaline is O=S(=O)(c1nc2ccccc2nc1Cl)C1CCNCC1.
What is the InChIKey of 2-chloro-3-piperidin-4-ylsulfonylquinoxaline?
The InChIKey is ARYBVAVYFSBGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c14-12-13(17-11-4-2-1-3-10(11)16-12)20(18,19)9-5-7-15-8-6-9/h1-4,9,15H,5-8H2.
What are the key properties of 2-chloro-3-piperidin-4-ylsulfonylquinoxaline?
2-chloro-3-piperidin-4-ylsulfonylquinoxaline has a molecular weight of 311.79 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-piperidin-4-ylsulfonylquinoxaline is sourced from PubChem (CID 71639759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).