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

C23H28N4O4S — CID 24992467

IUPACN-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]cyclohexanesulfonamide
SMILESCOc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C23H28N4O4S/c1-31-17-12-11-16(13-14-28)21(15-17)26-22-23(25-20-10-6-5-9-19(20)24-22)27-32(29,30)18-7-3-2-4-8-18/h5-6,9-12,15,18,28H,2-4,7-8,13-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyLHQNGRMPVQSZLA-UHFFFAOYSA-N
MW456.57 g/mol
LogP3.99
Rot. Bonds8

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

N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]cyclohexanesulfonamide (PubChem CID 24992467) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]cyclohexanesulfonamide
PubChem CID24992467
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC NameN-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]cyclohexanesulfonamide
SMILESCOc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C23H28N4O4S/c1-31-17-12-11-16(13-14-28)21(15-17)26-22-23(25-20-10-6-5-9-19(20)24-22)27-32(29,30)18-7-3-2-4-8-18/h5-6,9-12,15,18,28H,2-4,7-8,13-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyLHQNGRMPVQSZLA-UHFFFAOYSA-N
XLogP3.99
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.99
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]cyclohexanesulfonamide?
The IUPAC name of N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]cyclohexanesulfonamide (CID 24992467) is N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]cyclohexanesulfonamide.
What is the SMILES notation for N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]cyclohexanesulfonamide?
The canonical SMILES for N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]cyclohexanesulfonamide is COc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)C2CCCCC2)c1.
What is the InChIKey of N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]cyclohexanesulfonamide?
The InChIKey is LHQNGRMPVQSZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-31-17-12-11-16(13-14-28)21(15-17)26-22-23(25-20-10-6-5-9-19(20)24-22)27-32(29,30)18-7-3-2-4-8-18/h5-6,9-12,15,18,28H,2-4,7-8,13-14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]cyclohexanesulfonamide?
N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]cyclohexanesulfonamide has a molecular weight of 456.57 g/mol, XLogP of 3.99, 8 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]cyclohexanesulfonamide is sourced from PubChem (CID 24992467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).