2,3-dichloro-N-[3-(2,4-dimethylpentan-3-yloxy)quinoxalin-2-yl]benzenesulfonamide

C21H23Cl2N3O3S — CID 67403098

IUPAC2,3-dichloro-N-[3-(2,4-dimethylpentan-3-yloxy)quinoxalin-2-yl]benzenesulfonamide
SMILESCC(C)C(Oc1nc2ccccc2nc1NS(=O)(=O)c1cccc(Cl)c1Cl)C(C)C
InChIInChI=1S/C21H23Cl2N3O3S/c1-12(2)19(13(3)4)29-21-20(24-15-9-5-6-10-16(15)25-21)26-30(27,28)17-11-7-8-14(22)18(17)23/h5-13,19H,1-4H3,(H,24,26)
InChIKeyZOHMACMUXCMMPS-UHFFFAOYSA-N
MW468.41 g/mol
LogP5.80
Rot. Bonds7

About 2,3-dichloro-N-[3-(2,4-dimethylpentan-3-yloxy)quinoxalin-2-yl]benzenesulfonamide

2,3-dichloro-N-[3-(2,4-dimethylpentan-3-yloxy)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 67403098) has the molecular formula C21H23Cl2N3O3S and a molecular weight of 468.41 g/mol. Its IUPAC name is 2,3-dichloro-N-[3-(2,4-dimethylpentan-3-yloxy)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[3-(2,4-dimethylpentan-3-yloxy)quinoxalin-2-yl]benzenesulfonamide
PubChem CID67403098
Molecular FormulaC21H23Cl2N3O3S
Molecular Weight468.41 g/mol
Exact Mass467.08
IUPAC Name2,3-dichloro-N-[3-(2,4-dimethylpentan-3-yloxy)quinoxalin-2-yl]benzenesulfonamide
SMILESCC(C)C(Oc1nc2ccccc2nc1NS(=O)(=O)c1cccc(Cl)c1Cl)C(C)C
InChIInChI=1S/C21H23Cl2N3O3S/c1-12(2)19(13(3)4)29-21-20(24-15-9-5-6-10-16(15)25-21)26-30(27,28)17-11-7-8-14(22)18(17)23/h5-13,19H,1-4H3,(H,24,26)
InChIKeyZOHMACMUXCMMPS-UHFFFAOYSA-N
XLogP5.80
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.41
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,3-dichloro-N-[3-(2,4-dimethylpentan-3-yloxy)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

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[3-(2,4-dimethylpentan-3-yloxy)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[3-(2,4-dimethylpentan-3-yloxy)quinoxalin-2-yl]benzenesulfonamide (CID 67403098) is 2,3-dichloro-N-[3-(2,4-dimethylpentan-3-yloxy)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[3-(2,4-dimethylpentan-3-yloxy)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[3-(2,4-dimethylpentan-3-yloxy)quinoxalin-2-yl]benzenesulfonamide is CC(C)C(Oc1nc2ccccc2nc1NS(=O)(=O)c1cccc(Cl)c1Cl)C(C)C.
What is the InChIKey of 2,3-dichloro-N-[3-(2,4-dimethylpentan-3-yloxy)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is ZOHMACMUXCMMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O3S/c1-12(2)19(13(3)4)29-21-20(24-15-9-5-6-10-16(15)25-21)26-30(27,28)17-11-7-8-14(22)18(17)23/h5-13,19H,1-4H3,(H,24,26).
What are the key properties of 2,3-dichloro-N-[3-(2,4-dimethylpentan-3-yloxy)quinoxalin-2-yl]benzenesulfonamide?
2,3-dichloro-N-[3-(2,4-dimethylpentan-3-yloxy)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 468.41 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[3-(2,4-dimethylpentan-3-yloxy)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 67403098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).