N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxaline-6-sulfonamide

C23H29N5O3S — CID 50840508

IUPACN,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxaline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(N3CCN(c4ccccc4OC)CC3)cnc2c1
InChIInChI=1S/C23H29N5O3S/c1-4-28(5-2)32(29,30)18-10-11-19-20(16-18)24-17-23(25-19)27-14-12-26(13-15-27)21-8-6-7-9-22(21)31-3/h6-11,16-17H,4-5,12-15H2,1-3H3
InChIKeyUDLMKENFKRPNCZ-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.00
Rot. Bonds7

About N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxaline-6-sulfonamide

N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxaline-6-sulfonamide (PubChem CID 50840508) has the molecular formula C23H29N5O3S and a molecular weight of 455.58 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxaline-6-sulfonamide
PubChem CID50840508
Molecular FormulaC23H29N5O3S
Molecular Weight455.58 g/mol
Exact Mass455.20
IUPAC NameN,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxaline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(N3CCN(c4ccccc4OC)CC3)cnc2c1
InChIInChI=1S/C23H29N5O3S/c1-4-28(5-2)32(29,30)18-10-11-19-20(16-18)24-17-23(25-19)27-14-12-26(13-15-27)21-8-6-7-9-22(21)31-3/h6-11,16-17H,4-5,12-15H2,1-3H3
InChIKeyUDLMKENFKRPNCZ-UHFFFAOYSA-N
XLogP3.00
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxaline-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-benzylpiperazin-1-yl)-N,N-diethylquinoxaline-6-sulfonamide
CID 50840522
N,N-diethyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-sulfonamide
CID 9186578
2-[4-(2-ethoxyphenyl)piperazin-1-yl]quinoxaline
CID 33370380
N-ethyl-4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 45372150
N,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 4877422
2-chloro-N,N-diethylquinoxaline-6-sulfonamide
CID 50743348
6-[(4-ethylphenyl)sulfonylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 46298233
N,N-diethyl-4-methoxy-3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzenesulfonamide
CID 46088432
N,N-diethyl-4-methoxy-3-[4-(2-phenylsulfanylacetyl)piperazin-1-yl]benzenesulfonamide
CID 42691438
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylsulfonyl-1,3-benzothiazole
CID 121083710
4-[[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9186566
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxaline-6-sulfonamide?
The IUPAC name of N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxaline-6-sulfonamide (CID 50840508) is N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxaline-6-sulfonamide.
What is the SMILES notation for N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxaline-6-sulfonamide?
The canonical SMILES for N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxaline-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2nc(N3CCN(c4ccccc4OC)CC3)cnc2c1.
What is the InChIKey of N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxaline-6-sulfonamide?
The InChIKey is UDLMKENFKRPNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3S/c1-4-28(5-2)32(29,30)18-10-11-19-20(16-18)24-17-23(25-19)27-14-12-26(13-15-27)21-8-6-7-9-22(21)31-3/h6-11,16-17H,4-5,12-15H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxaline-6-sulfonamide?
N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxaline-6-sulfonamide has a molecular weight of 455.58 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxaline-6-sulfonamide is sourced from PubChem (CID 50840508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).