N-[3-[(2-ethoxyphenyl)methyl]quinoxalin-2-yl]-4-methylbenzenesulfonamide

C24H23N3O3S — CID 58373519

IUPACN-[3-[(2-ethoxyphenyl)methyl]quinoxalin-2-yl]-4-methylbenzenesulfonamide
SMILESCCOc1ccccc1Cc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H23N3O3S/c1-3-30-23-11-7-4-8-18(23)16-22-24(26-21-10-6-5-9-20(21)25-22)27-31(28,29)19-14-12-17(2)13-15-19/h4-15H,3,16H2,1-2H3,(H,26,27)
InChIKeyOWMZFQPTWJSGRJ-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.73
Rot. Bonds7

About N-[3-[(2-ethoxyphenyl)methyl]quinoxalin-2-yl]-4-methylbenzenesulfonamide

N-[3-[(2-ethoxyphenyl)methyl]quinoxalin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 58373519) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[3-[(2-ethoxyphenyl)methyl]quinoxalin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-ethoxyphenyl)methyl]quinoxalin-2-yl]-4-methylbenzenesulfonamide
PubChem CID58373519
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN-[3-[(2-ethoxyphenyl)methyl]quinoxalin-2-yl]-4-methylbenzenesulfonamide
SMILESCCOc1ccccc1Cc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H23N3O3S/c1-3-30-23-11-7-4-8-18(23)16-22-24(26-21-10-6-5-9-20(21)25-22)27-31(28,29)19-14-12-17(2)13-15-19/h4-15H,3,16H2,1-2H3,(H,26,27)
InChIKeyOWMZFQPTWJSGRJ-UHFFFAOYSA-N
XLogP4.73
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 23075817
N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide
CID 2410711
N-[3-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 7456715
4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide
CID 3340734
N-[3-(2-cyclopropylethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 23075854
N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide
CID 1398916
ethyl 6-methyl-2-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 160964241
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-methyl-N-[3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 3656930
4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23076027
N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1392214
4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide
CID 23076281

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-ethoxyphenyl)methyl]quinoxalin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-[(2-ethoxyphenyl)methyl]quinoxalin-2-yl]-4-methylbenzenesulfonamide (CID 58373519) is N-[3-[(2-ethoxyphenyl)methyl]quinoxalin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[(2-ethoxyphenyl)methyl]quinoxalin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[(2-ethoxyphenyl)methyl]quinoxalin-2-yl]-4-methylbenzenesulfonamide is CCOc1ccccc1Cc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[3-[(2-ethoxyphenyl)methyl]quinoxalin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is OWMZFQPTWJSGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-3-30-23-11-7-4-8-18(23)16-22-24(26-21-10-6-5-9-20(21)25-22)27-31(28,29)19-14-12-17(2)13-15-19/h4-15H,3,16H2,1-2H3,(H,26,27).
What are the key properties of N-[3-[(2-ethoxyphenyl)methyl]quinoxalin-2-yl]-4-methylbenzenesulfonamide?
N-[3-[(2-ethoxyphenyl)methyl]quinoxalin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 433.53 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-ethoxyphenyl)methyl]quinoxalin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 58373519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).