2-[4-(2-fluorophenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoxaline

C23H26FN5O2S — CID 45499418

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoxaline
SMILESO=S(=O)(c1ccc2nc(N3CCN(c4ccccc4F)CC3)cnc2c1)N1CCCCC1
InChIInChI=1S/C23H26FN5O2S/c24-19-6-2-3-7-22(19)27-12-14-28(15-13-27)23-17-25-21-16-18(8-9-20(21)26-23)32(30,31)29-10-4-1-5-11-29/h2-3,6-9,16-17H,1,4-5,10-15H2
InChIKeyIABXHDRDUNXECR-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.27
Rot. Bonds4

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoxaline

2-[4-(2-fluorophenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoxaline (PubChem CID 45499418) has the molecular formula C23H26FN5O2S and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoxaline.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoxaline
PubChem CID45499418
Molecular FormulaC23H26FN5O2S
Molecular Weight455.56 g/mol
Exact Mass455.18
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoxaline
SMILESO=S(=O)(c1ccc2nc(N3CCN(c4ccccc4F)CC3)cnc2c1)N1CCCCC1
InChIInChI=1S/C23H26FN5O2S/c24-19-6-2-3-7-22(19)27-12-14-28(15-13-27)23-17-25-21-16-18(8-9-20(21)26-23)32(30,31)29-10-4-1-5-11-29/h2-3,6-9,16-17H,1,4-5,10-15H2
InChIKeyIABXHDRDUNXECR-UHFFFAOYSA-N
XLogP3.27
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline
CID 33370889
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 2530553
1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine
CID 1041679
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone
CID 4214749
6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one
CID 2987419
6-chloro-2-piperidin-1-ylquinoxaline
CID 171705162
1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(2-fluorophenyl)piperazine
CID 26946811
7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 46341336
N,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 4877422
1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-(2-fluorophenyl)piperazine
CID 3185234
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 16644067
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4818382

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoxaline?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoxaline (CID 45499418) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoxaline.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoxaline?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoxaline is O=S(=O)(c1ccc2nc(N3CCN(c4ccccc4F)CC3)cnc2c1)N1CCCCC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoxaline?
The InChIKey is IABXHDRDUNXECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2S/c24-19-6-2-3-7-22(19)27-12-14-28(15-13-27)23-17-25-21-16-18(8-9-20(21)26-23)32(30,31)29-10-4-1-5-11-29/h2-3,6-9,16-17H,1,4-5,10-15H2.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoxaline?
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoxaline has a molecular weight of 455.56 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-piperidin-1-ylsulfonylquinoxaline is sourced from PubChem (CID 45499418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).