4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide

C20H23N3O4S — CID 3274197

IUPAC4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESCCC(C)COc1nc2ccccc2nc1NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H23N3O4S/c1-4-14(2)13-27-20-19(21-17-7-5-6-8-18(17)22-20)23-28(24,25)16-11-9-15(26-3)10-12-16/h5-12,14H,4,13H2,1-3H3,(H,21,23)
InChIKeyXXFXREKTGQKMDU-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.86
Rot. Bonds8

About 4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide

4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 3274197) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
PubChem CID3274197
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESCCC(C)COc1nc2ccccc2nc1NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H23N3O4S/c1-4-14(2)13-27-20-19(21-17-7-5-6-8-18(17)22-20)23-28(24,25)16-11-9-15(26-3)10-12-16/h5-12,14H,4,13H2,1-3H3,(H,21,23)
InChIKeyXXFXREKTGQKMDU-UHFFFAOYSA-N
XLogP3.86
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-[3-(2-methylbutoxy)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-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1400090
4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075922
N-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide
CID 2828955
N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 2405355
N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 2303591
N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1392214
N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide
CID 2410711
4-propan-2-yl-N-[3-(pyridin-2-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23076249
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654
N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
CID 7693406
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide (CID 3274197) is 4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide is CCC(C)COc1nc2ccccc2nc1NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is XXFXREKTGQKMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-4-14(2)13-27-20-19(21-17-7-5-6-8-18(17)22-20)23-28(24,25)16-11-9-15(26-3)10-12-16/h5-12,14H,4,13H2,1-3H3,(H,21,23).
What are the key properties of 4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide?
4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 401.49 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 3274197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).