4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide

C22H20N4O3S — CID 23076027

IUPAC4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2OCCc2ccncc2)cc1
InChIInChI=1S/C22H20N4O3S/c1-16-6-8-18(9-7-16)30(27,28)26-21-22(25-20-5-3-2-4-19(20)24-21)29-15-12-17-10-13-23-14-11-17/h2-11,13-14H,12,15H2,1H3,(H,24,26)
InChIKeyCIJKYGNUMLJJNF-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.76
Rot. Bonds7

About 4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide

4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 23076027) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide
PubChem CID23076027
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2OCCc2ccncc2)cc1
InChIInChI=1S/C22H20N4O3S/c1-16-6-8-18(9-7-16)30(27,28)26-21-22(25-20-5-3-2-4-19(20)24-21)29-15-12-17-10-13-23-14-11-17/h2-11,13-14H,12,15H2,1H3,(H,24,26)
InChIKeyCIJKYGNUMLJJNF-UHFFFAOYSA-N
XLogP3.76
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-cyclopropylethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 23075854
4-bromo-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075921
4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide
CID 23076281
N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 23075817
N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 2405355
4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075922
N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 2303591
4-fluoro-N-[3-(pyridin-3-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075789
4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075750
N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
CID 7693406
4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide
CID 23075772
N-[3-(2,6-dimethylphenoxy)quinoxalin-2-yl]benzenesulfonamide
CID 163248782

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide (CID 23076027) is 4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2OCCc2ccncc2)cc1.
What is the InChIKey of 4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is CIJKYGNUMLJJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-16-6-8-18(9-7-16)30(27,28)26-21-22(25-20-5-3-2-4-19(20)24-21)29-15-12-17-10-13-23-14-11-17/h2-11,13-14H,12,15H2,1H3,(H,24,26).
What are the key properties of 4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide?
4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 420.49 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23076027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).