2-(4-benzylpiperazin-1-yl)-N,N-diethylquinoxaline-6-sulfonamide

C23H29N5O2S — CID 50840522

IUPAC2-(4-benzylpiperazin-1-yl)-N,N-diethylquinoxaline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(N3CCN(Cc4ccccc4)CC3)cnc2c1
InChIInChI=1S/C23H29N5O2S/c1-3-28(4-2)31(29,30)20-10-11-21-22(16-20)24-17-23(25-21)27-14-12-26(13-15-27)18-19-8-6-5-7-9-19/h5-11,16-17H,3-4,12-15,18H2,1-2H3
InChIKeyAOZQJTPFPPVERA-UHFFFAOYSA-N
MW439.59 g/mol
LogP2.98
Rot. Bonds7

About 2-(4-benzylpiperazin-1-yl)-N,N-diethylquinoxaline-6-sulfonamide

2-(4-benzylpiperazin-1-yl)-N,N-diethylquinoxaline-6-sulfonamide (PubChem CID 50840522) has the molecular formula C23H29N5O2S and a molecular weight of 439.59 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N,N-diethylquinoxaline-6-sulfonamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N,N-diethylquinoxaline-6-sulfonamide
PubChem CID50840522
Molecular FormulaC23H29N5O2S
Molecular Weight439.59 g/mol
Exact Mass439.20
IUPAC Name2-(4-benzylpiperazin-1-yl)-N,N-diethylquinoxaline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(N3CCN(Cc4ccccc4)CC3)cnc2c1
InChIInChI=1S/C23H29N5O2S/c1-3-28(4-2)31(29,30)20-10-11-21-22(16-20)24-17-23(25-21)27-14-12-26(13-15-27)18-19-8-6-5-7-9-19/h5-11,16-17H,3-4,12-15,18H2,1-2H3
InChIKeyAOZQJTPFPPVERA-UHFFFAOYSA-N
XLogP2.98
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N,N-diethylquinoxaline-6-sulfonamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N,N-diethylquinoxaline-6-sulfonamide (CID 50840522) is 2-(4-benzylpiperazin-1-yl)-N,N-diethylquinoxaline-6-sulfonamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N,N-diethylquinoxaline-6-sulfonamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N,N-diethylquinoxaline-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2nc(N3CCN(Cc4ccccc4)CC3)cnc2c1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N,N-diethylquinoxaline-6-sulfonamide?
The InChIKey is AOZQJTPFPPVERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S/c1-3-28(4-2)31(29,30)20-10-11-21-22(16-20)24-17-23(25-21)27-14-12-26(13-15-27)18-19-8-6-5-7-9-19/h5-11,16-17H,3-4,12-15,18H2,1-2H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N,N-diethylquinoxaline-6-sulfonamide?
2-(4-benzylpiperazin-1-yl)-N,N-diethylquinoxaline-6-sulfonamide has a molecular weight of 439.59 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N,N-diethylquinoxaline-6-sulfonamide is sourced from PubChem (CID 50840522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).