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

C22H21N5O4S — CID 24994076

IUPACN-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyridine-3-sulfonamide
SMILESCOc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C22H21N5O4S/c1-31-16-9-8-15(10-12-28)20(13-16)26-21-22(25-19-7-3-2-6-18(19)24-21)27-32(29,30)17-5-4-11-23-14-17/h2-9,11,13-14,28H,10,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyDJKZQTVGDQNYPP-UHFFFAOYSA-N
MW451.51 g/mol
LogP3.11
Rot. Bonds8

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

N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyridine-3-sulfonamide (PubChem CID 24994076) has the molecular formula C22H21N5O4S and a molecular weight of 451.51 g/mol. Its IUPAC name is N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyridine-3-sulfonamide
PubChem CID24994076
Molecular FormulaC22H21N5O4S
Molecular Weight451.51 g/mol
Exact Mass451.13
IUPAC NameN-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyridine-3-sulfonamide
SMILESCOc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C22H21N5O4S/c1-31-16-9-8-15(10-12-28)20(13-16)26-21-22(25-19-7-3-2-6-18(19)24-21)27-32(29,30)17-5-4-11-23-14-17/h2-9,11,13-14,28H,10,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyDJKZQTVGDQNYPP-UHFFFAOYSA-N
XLogP3.11
TPSA126.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyridine-3-sulfonamide (CID 24994076) is N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyridine-3-sulfonamide is COc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyridine-3-sulfonamide?
The InChIKey is DJKZQTVGDQNYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4S/c1-31-16-9-8-15(10-12-28)20(13-16)26-21-22(25-19-7-3-2-6-18(19)24-21)27-32(29,30)17-5-4-11-23-14-17/h2-9,11,13-14,28H,10,12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyridine-3-sulfonamide?
N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyridine-3-sulfonamide has a molecular weight of 451.51 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 24994076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).