2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline

C24H20F2N4O2S — CID 46093769

IUPAC2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline
SMILESO=S(=O)(c1c(F)cccc1F)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1
InChIInChI=1S/C24H20F2N4O2S/c25-18-9-6-10-19(26)23(18)33(31,32)30-15-13-29(14-16-30)24-22(17-7-2-1-3-8-17)27-20-11-4-5-12-21(20)28-24/h1-12H,13-16H2
InChIKeyLSTGCZZXIGVDQA-UHFFFAOYSA-N
MW466.51 g/mol
LogP4.09
Rot. Bonds4

About 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline

2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline (PubChem CID 46093769) has the molecular formula C24H20F2N4O2S and a molecular weight of 466.51 g/mol. Its IUPAC name is 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline.

Molecular Properties

Compound Name2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline
PubChem CID46093769
Molecular FormulaC24H20F2N4O2S
Molecular Weight466.51 g/mol
Exact Mass466.13
IUPAC Name2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline
SMILESO=S(=O)(c1c(F)cccc1F)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1
InChIInChI=1S/C24H20F2N4O2S/c25-18-9-6-10-19(26)23(18)33(31,32)30-15-13-29(14-16-30)24-22(17-7-2-1-3-8-17)27-20-11-4-5-12-21(20)28-24/h1-12H,13-16H2
InChIKeyLSTGCZZXIGVDQA-UHFFFAOYSA-N
XLogP4.09
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline
CID 2997171
2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline
CID 46093749
2-(4-benzylsulfonylpiperazin-1-yl)-3-phenylquinoxaline
CID 46093711
2-phenyl-3-[4-(2,4,5-trichlorophenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline
CID 46093699
1,3-dimethyl-5-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]sulfonylbenzimidazol-2-one
CID 5298311
2-[4-[2,6-dimethyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-3-phenylquinoxaline
CID 5300036
3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133481509
ethyl 3-[4-(2,6-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
CID 46093772
(2-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone
CID 46093474
4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline
CID 133345227
(4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 46093007
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 133462995

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline?
The IUPAC name of 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline (CID 46093769) is 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline.
What is the SMILES notation for 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline?
The canonical SMILES for 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline is O=S(=O)(c1c(F)cccc1F)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1.
What is the InChIKey of 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline?
The InChIKey is LSTGCZZXIGVDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O2S/c25-18-9-6-10-19(26)23(18)33(31,32)30-15-13-29(14-16-30)24-22(17-7-2-1-3-8-17)27-20-11-4-5-12-21(20)28-24/h1-12H,13-16H2.
What are the key properties of 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline?
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline has a molecular weight of 466.51 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline is sourced from PubChem (CID 46093769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).