2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline

C19H19FN4O2S — CID 31007687

IUPAC2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19FN4O2S/c1-14-19(22-18-5-3-2-4-17(18)21-14)23-10-12-24(13-11-23)27(25,26)16-8-6-15(20)7-9-16/h2-9H,10-13H2,1H3
InChIKeyPJBHVKIJAAIZSZ-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.59
Rot. Bonds3

About 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline

2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline (PubChem CID 31007687) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline
PubChem CID31007687
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19FN4O2S/c1-14-19(22-18-5-3-2-4-17(18)21-14)23-10-12-24(13-11-23)27(25,26)16-8-6-15(20)7-9-16/h2-9H,10-13H2,1H3
InChIKeyPJBHVKIJAAIZSZ-UHFFFAOYSA-N
XLogP2.59
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline
CID 31014988
6-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 108782939
4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]pyrrolo[1,2-a]quinoxaline
CID 46259582
2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 31012765
1-(4-fluorophenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
CID 4585375
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553
2-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-3-methylquinoline
CID 110420550
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine
CID 53084458
2-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-3-(trifluoromethyl)quinoxaline
CID 53052264
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
5-fluoro-4-methyl-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 154853631
(2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine
CID 34060541

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline?
The IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline (CID 31007687) is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline.
What is the SMILES notation for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline?
The canonical SMILES for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline is Cc1nc2ccccc2nc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline?
The InChIKey is PJBHVKIJAAIZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c1-14-19(22-18-5-3-2-4-17(18)21-14)23-10-12-24(13-11-23)27(25,26)16-8-6-15(20)7-9-16/h2-9H,10-13H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline?
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline has a molecular weight of 386.45 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline is sourced from PubChem (CID 31007687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).