N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide

C25H25N5O3S — CID 4878685

IUPACN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(N2CCN(c3nc4ccccc4nc3NS(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H25N5O3S/c1-33-20-13-11-19(12-14-20)29-15-17-30(18-16-29)25-24(26-22-9-5-6-10-23(22)27-25)28-34(31,32)21-7-3-2-4-8-21/h2-14H,15-18H2,1H3,(H,26,28)
InChIKeyPROGPZHETJREQH-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.77
Rot. Bonds6

About N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 4878685) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
PubChem CID4878685
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC NameN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(N2CCN(c3nc4ccccc4nc3NS(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H25N5O3S/c1-33-20-13-11-19(12-14-20)29-15-17-30(18-16-29)25-24(26-22-9-5-6-10-23(22)27-25)28-34(31,32)21-7-3-2-4-8-21/h2-14H,15-18H2,1H3,(H,26,28)
InChIKeyPROGPZHETJREQH-UHFFFAOYSA-N
XLogP3.77
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide 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

N-(3-(3,5-Dimethoxyphenylamino)quinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 1627922
4-methoxy-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1636052
2-[4-(4-Methoxyphenyl)piperazin-1-yl]quinoxaline
CID 2764806
N-(4-(N-(3-((4-Methoxyphenyl)amino)quinoxalin-2-yl)sulfamoyl)phenyl)acetamide
CID 1241530
N-(4-Methoxyphenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991418
3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine
CID 56680379
3-(4-methoxyphenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56680410
4-N-[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]benzene-1,4-diamine
CID 56680419
3-N-[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]benzene-1,3-diamine
CID 56680420
N-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine
CID 56680421
4-ethoxy-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325622
6-{[(4-Methoxyphenyl)(methyl)amino]methyl}pyrido[3,2-d]pyrimidine-2,4-diamine
CID 457752

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide (CID 4878685) is N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide is COc1ccc(N2CCN(c3nc4ccccc4nc3NS(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is PROGPZHETJREQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3S/c1-33-20-13-11-19(12-14-20)29-15-17-30(18-16-29)25-24(26-22-9-5-6-10-23(22)27-25)28-34(31,32)21-7-3-2-4-8-21/h2-14H,15-18H2,1H3,(H,26,28).
What are the key properties of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide?
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 475.57 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 4878685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).