4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide

C24H24N4O3S — CID 23076281

IUPAC4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2OCCN(C)c2ccccc2)cc1
InChIInChI=1S/C24H24N4O3S/c1-18-12-14-20(15-13-18)32(29,30)27-23-24(26-22-11-7-6-10-21(22)25-23)31-17-16-28(2)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,25,27)
InChIKeyCBYDPLYXGFANOW-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.25
Rot. Bonds8

About 4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide

4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 23076281) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide
PubChem CID23076281
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2OCCN(C)c2ccccc2)cc1
InChIInChI=1S/C24H24N4O3S/c1-18-12-14-20(15-13-18)32(29,30)27-23-24(26-22-11-7-6-10-21(22)25-23)31-17-16-28(2)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,25,27)
InChIKeyCBYDPLYXGFANOW-UHFFFAOYSA-N
XLogP4.25
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.25
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-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23076027
4-fluoro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide
CID 23076244
4-chloro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide
CID 23075945
N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 23075817
N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 2303591
N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 2405355
N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
CID 7693406
N-[3-(2,6-dimethylphenoxy)quinoxalin-2-yl]benzenesulfonamide
CID 163248782
4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075750
N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide
CID 141482671
N-[3-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 7456715

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide (CID 23076281) is 4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2OCCN(C)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is CBYDPLYXGFANOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-18-12-14-20(15-13-18)32(29,30)27-23-24(26-22-11-7-6-10-21(22)25-23)31-17-16-28(2)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,25,27).
What are the key properties of 4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide?
4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 448.55 g/mol, XLogP of 4.25, 8 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-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23076281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).