2-(4-benzylsulfonylpiperazin-1-yl)-3-phenylquinoxaline

C25H24N4O2S — CID 46093711

IUPAC2-(4-benzylsulfonylpiperazin-1-yl)-3-phenylquinoxaline
SMILESO=S(=O)(Cc1ccccc1)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1
InChIInChI=1S/C25H24N4O2S/c30-32(31,19-20-9-3-1-4-10-20)29-17-15-28(16-18-29)25-24(21-11-5-2-6-12-21)26-22-13-7-8-14-23(22)27-25/h1-14H,15-19H2
InChIKeyNPPAQEPEDVOOTH-UHFFFAOYSA-N
MW444.56 g/mol
LogP3.95
Rot. Bonds5

About 2-(4-benzylsulfonylpiperazin-1-yl)-3-phenylquinoxaline

2-(4-benzylsulfonylpiperazin-1-yl)-3-phenylquinoxaline (PubChem CID 46093711) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is 2-(4-benzylsulfonylpiperazin-1-yl)-3-phenylquinoxaline.

Molecular Properties

Compound Name2-(4-benzylsulfonylpiperazin-1-yl)-3-phenylquinoxaline
PubChem CID46093711
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC Name2-(4-benzylsulfonylpiperazin-1-yl)-3-phenylquinoxaline
SMILESO=S(=O)(Cc1ccccc1)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1
InChIInChI=1S/C25H24N4O2S/c30-32(31,19-20-9-3-1-4-10-20)29-17-15-28(16-18-29)25-24(21-11-5-2-6-12-21)26-22-13-7-8-14-23(22)27-25/h1-14H,15-19H2
InChIKeyNPPAQEPEDVOOTH-UHFFFAOYSA-N
XLogP3.95
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 53.95
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-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline
CID 46093769
2-(4-benzylsulfonylpiperazin-1-yl)quinoline-3-carbonitrile
CID 110348609
2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline
CID 46093749
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
4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline
CID 60520728
4-benzylsulfonylpiperazine-1-carbaldehyde
CID 3750884
4-(4-benzylsulfonylpiperazin-1-yl)-6-phenylpyrimidine
CID 20933367
4-(4-benzylsulfonylpiperazin-1-yl)-6-bromoquinazoline
CID 87020756
4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 9109711
3-(4-benzylsulfonylpiperazin-1-yl)pyridazine
CID 121060992

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylsulfonylpiperazin-1-yl)-3-phenylquinoxaline?
The IUPAC name of 2-(4-benzylsulfonylpiperazin-1-yl)-3-phenylquinoxaline (CID 46093711) is 2-(4-benzylsulfonylpiperazin-1-yl)-3-phenylquinoxaline.
What is the SMILES notation for 2-(4-benzylsulfonylpiperazin-1-yl)-3-phenylquinoxaline?
The canonical SMILES for 2-(4-benzylsulfonylpiperazin-1-yl)-3-phenylquinoxaline is O=S(=O)(Cc1ccccc1)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylsulfonylpiperazin-1-yl)-3-phenylquinoxaline?
The InChIKey is NPPAQEPEDVOOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c30-32(31,19-20-9-3-1-4-10-20)29-17-15-28(16-18-29)25-24(21-11-5-2-6-12-21)26-22-13-7-8-14-23(22)27-25/h1-14H,15-19H2.
What are the key properties of 2-(4-benzylsulfonylpiperazin-1-yl)-3-phenylquinoxaline?
2-(4-benzylsulfonylpiperazin-1-yl)-3-phenylquinoxaline has a molecular weight of 444.56 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylsulfonylpiperazin-1-yl)-3-phenylquinoxaline is sourced from PubChem (CID 46093711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).