N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide

C18H20N4O4S — CID 24992802

IUPACN-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide
SMILESCOc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(C)(=O)=O)c1
InChIInChI=1S/C18H20N4O4S/c1-26-13-8-7-12(9-10-23)16(11-13)21-17-18(22-27(2,24)25)20-15-6-4-3-5-14(15)19-17/h3-8,11,23H,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGOGLNMJTMYAKCA-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.29
Rot. Bonds7

About N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide

N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide (PubChem CID 24992802) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide
PubChem CID24992802
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC NameN-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide
SMILESCOc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(C)(=O)=O)c1
InChIInChI=1S/C18H20N4O4S/c1-26-13-8-7-12(9-10-23)16(11-13)21-17-18(22-27(2,24)25)20-15-6-4-3-5-14(15)19-17/h3-8,11,23H,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGOGLNMJTMYAKCA-UHFFFAOYSA-N
XLogP2.29
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide?
The IUPAC name of N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide (CID 24992802) is N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide is COc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide?
The InChIKey is GOGLNMJTMYAKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-26-13-8-7-12(9-10-23)16(11-13)21-17-18(22-27(2,24)25)20-15-6-4-3-5-14(15)19-17/h3-8,11,23H,9-10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide?
N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide has a molecular weight of 388.45 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide is sourced from PubChem (CID 24992802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).