N-[3-[4-(2-hydroxyethyl)-2-methoxyanilino]quinoxalin-2-yl]ethanesulfonamide

C19H22N4O4S — CID 174603182

IUPACN-[3-[4-(2-hydroxyethyl)-2-methoxyanilino]quinoxalin-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc(CCO)cc1OC
InChIInChI=1S/C19H22N4O4S/c1-3-28(25,26)23-19-18(20-14-6-4-5-7-15(14)21-19)22-16-9-8-13(10-11-24)12-17(16)27-2/h4-9,12,24H,3,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyKDMYSMLZMGPPBL-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.68
Rot. Bonds8

About N-[3-[4-(2-hydroxyethyl)-2-methoxyanilino]quinoxalin-2-yl]ethanesulfonamide

N-[3-[4-(2-hydroxyethyl)-2-methoxyanilino]quinoxalin-2-yl]ethanesulfonamide (PubChem CID 174603182) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[3-[4-(2-hydroxyethyl)-2-methoxyanilino]quinoxalin-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2-hydroxyethyl)-2-methoxyanilino]quinoxalin-2-yl]ethanesulfonamide
PubChem CID174603182
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC NameN-[3-[4-(2-hydroxyethyl)-2-methoxyanilino]quinoxalin-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc(CCO)cc1OC
InChIInChI=1S/C19H22N4O4S/c1-3-28(25,26)23-19-18(20-14-6-4-5-7-15(14)21-19)22-16-9-8-13(10-11-24)12-17(16)27-2/h4-9,12,24H,3,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyKDMYSMLZMGPPBL-UHFFFAOYSA-N
XLogP2.68
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[5-methoxy-2-(2-methylsulfanylethyl)anilino]quinoxalin-2-yl]ethanesulfonamide
CID 143739508
1-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]propane-1-sulfonamide
CID 24992801
N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1405616
CID 68699737
CID 68699737
N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 2921932
N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1392214
4-(azetidin-1-ylmethyl)-N-[3-[2-(3-hydroxypropoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]benzenesulfonamide
CID 56967233
(2E)-N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]-1-methyliminopenta-2,4-diene-2-sulfonamide
CID 163974077
[4-[[amino-[2,5-diamino-6-(2-methoxyphenyl)pyrimidin-4-yl]amino]methyl]-2-methoxyphenyl]sulfamic acid
CID 143725069
N-[3-[2-(3-hydroxypropoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]-1H-pyrazole-4-sulfonamide
CID 122642841
N-[4-[[3-[2-(3-hydroxypropoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 56966768
N-[3-[2-(3-hydroxybutoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide
CID 56966186

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-hydroxyethyl)-2-methoxyanilino]quinoxalin-2-yl]ethanesulfonamide?
The IUPAC name of N-[3-[4-(2-hydroxyethyl)-2-methoxyanilino]quinoxalin-2-yl]ethanesulfonamide (CID 174603182) is N-[3-[4-(2-hydroxyethyl)-2-methoxyanilino]quinoxalin-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[3-[4-(2-hydroxyethyl)-2-methoxyanilino]quinoxalin-2-yl]ethanesulfonamide?
The canonical SMILES for N-[3-[4-(2-hydroxyethyl)-2-methoxyanilino]quinoxalin-2-yl]ethanesulfonamide is CCS(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc(CCO)cc1OC.
What is the InChIKey of N-[3-[4-(2-hydroxyethyl)-2-methoxyanilino]quinoxalin-2-yl]ethanesulfonamide?
The InChIKey is KDMYSMLZMGPPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-3-28(25,26)23-19-18(20-14-6-4-5-7-15(14)21-19)22-16-9-8-13(10-11-24)12-17(16)27-2/h4-9,12,24H,3,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-[4-(2-hydroxyethyl)-2-methoxyanilino]quinoxalin-2-yl]ethanesulfonamide?
N-[3-[4-(2-hydroxyethyl)-2-methoxyanilino]quinoxalin-2-yl]ethanesulfonamide has a molecular weight of 402.48 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-hydroxyethyl)-2-methoxyanilino]quinoxalin-2-yl]ethanesulfonamide is sourced from PubChem (CID 174603182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).