2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline

C18H17ClN4O2S — CID 33370889

IUPAC2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C18H17ClN4O2S/c19-14-5-7-15(8-6-14)26(24,25)23-11-9-22(10-12-23)18-13-20-16-3-1-2-4-17(16)21-18/h1-8,13H,9-12H2
InChIKeyGAVNMLQREHITSA-UHFFFAOYSA-N
MW388.88 g/mol
LogP2.79
Rot. Bonds3

About 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline (PubChem CID 33370889) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline
PubChem CID33370889
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C18H17ClN4O2S/c19-14-5-7-15(8-6-14)26(24,25)23-11-9-22(10-12-23)18-13-20-16-3-1-2-4-17(16)21-18/h1-8,13H,9-12H2
InChIKeyGAVNMLQREHITSA-UHFFFAOYSA-N
XLogP2.79
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole
CID 40782819
(2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741335
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoxaline
CID 45499418
[6-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]boronic acid
CID 71463927
4-(4-quinolin-2-ylpiperazin-1-yl)sulfonylaniline
CID 3696036
2-(4-hydroxypiperazin-1-yl)quinoxaline
CID 46878257
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylquinazolin-4-amine
CID 91966139
7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylquinazoline
CID 46133835
1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 154834810
(2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741394
1-(4-chlorophenyl)sulfonyl-4-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,4-diazepane
CID 53181810
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]benzonitrile
CID 69370902

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline (CID 33370889) is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline is O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline?
The InChIKey is GAVNMLQREHITSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c19-14-5-7-15(8-6-14)26(24,25)23-11-9-22(10-12-23)18-13-20-16-3-1-2-4-17(16)21-18/h1-8,13H,9-12H2.
What are the key properties of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline?
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline has a molecular weight of 388.88 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline is sourced from PubChem (CID 33370889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).