N-[7-(4-acetylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl]benzenesulfonamide

C22H23N5O5S — CID 2566755

IUPACN-[7-(4-acetylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl]benzenesulfonamide
SMILESCC(=O)N1CCN(c2nc3cc4c(cc3nc2NS(=O)(=O)c2ccccc2)OCCO4)CC1
InChIInChI=1S/C22H23N5O5S/c1-15(28)26-7-9-27(10-8-26)22-21(25-33(29,30)16-5-3-2-4-6-16)23-17-13-19-20(14-18(17)24-22)32-12-11-31-19/h2-6,13-14H,7-12H2,1H3,(H,23,25)
InChIKeyKTOPYRZYHHGYEV-UHFFFAOYSA-N
MW469.52 g/mol
LogP1.87
Rot. Bonds4

About N-[7-(4-acetylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl]benzenesulfonamide

N-[7-(4-acetylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl]benzenesulfonamide (PubChem CID 2566755) has the molecular formula C22H23N5O5S and a molecular weight of 469.52 g/mol. Its IUPAC name is N-[7-(4-acetylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[7-(4-acetylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl]benzenesulfonamide
PubChem CID2566755
Molecular FormulaC22H23N5O5S
Molecular Weight469.52 g/mol
Exact Mass469.14
IUPAC NameN-[7-(4-acetylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl]benzenesulfonamide
SMILESCC(=O)N1CCN(c2nc3cc4c(cc3nc2NS(=O)(=O)c2ccccc2)OCCO4)CC1
InChIInChI=1S/C22H23N5O5S/c1-15(28)26-7-9-27(10-8-26)22-21(25-33(29,30)16-5-3-2-4-6-16)23-17-13-19-20(14-18(17)24-22)32-12-11-31-19/h2-6,13-14H,7-12H2,1H3,(H,23,25)
InChIKeyKTOPYRZYHHGYEV-UHFFFAOYSA-N
XLogP1.87
TPSA113.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[7-(4-acetylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-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

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-acetylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl]benzenesulfonamide?
The IUPAC name of N-[7-(4-acetylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl]benzenesulfonamide (CID 2566755) is N-[7-(4-acetylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl]benzenesulfonamide.
What is the SMILES notation for N-[7-(4-acetylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl]benzenesulfonamide?
The canonical SMILES for N-[7-(4-acetylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl]benzenesulfonamide is CC(=O)N1CCN(c2nc3cc4c(cc3nc2NS(=O)(=O)c2ccccc2)OCCO4)CC1.
What is the InChIKey of N-[7-(4-acetylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl]benzenesulfonamide?
The InChIKey is KTOPYRZYHHGYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5S/c1-15(28)26-7-9-27(10-8-26)22-21(25-33(29,30)16-5-3-2-4-6-16)23-17-13-19-20(14-18(17)24-22)32-12-11-31-19/h2-6,13-14H,7-12H2,1H3,(H,23,25).
What are the key properties of N-[7-(4-acetylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl]benzenesulfonamide?
N-[7-(4-acetylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl]benzenesulfonamide has a molecular weight of 469.52 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-acetylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl]benzenesulfonamide is sourced from PubChem (CID 2566755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).