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

C19H20N4O2S — CID 2997171

IUPAC2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline
SMILESCS(=O)(=O)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1
InChIInChI=1S/C19H20N4O2S/c1-26(24,25)23-13-11-22(12-14-23)19-18(15-7-3-2-4-8-15)20-16-9-5-6-10-17(16)21-19/h2-10H,11-14H2,1H3
InChIKeyHAXUGELRCSTMMU-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.38
Rot. Bonds3

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

2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline (PubChem CID 2997171) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline
PubChem CID2997171
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline
SMILESCS(=O)(=O)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1
InChIInChI=1S/C19H20N4O2S/c1-26(24,25)23-13-11-22(12-14-23)19-18(15-7-3-2-4-8-15)20-16-9-5-6-10-17(16)21-19/h2-10H,11-14H2,1H3
InChIKeyHAXUGELRCSTMMU-UHFFFAOYSA-N
XLogP2.38
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline (CID 2997171) is 2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline is CS(=O)(=O)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline?
The InChIKey is HAXUGELRCSTMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-26(24,25)23-13-11-22(12-14-23)19-18(15-7-3-2-4-8-15)20-16-9-5-6-10-17(16)21-19/h2-10H,11-14H2,1H3.
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline?
2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline has a molecular weight of 368.46 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline is sourced from PubChem (CID 2997171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).