N-[3-[2-(1,3-dihydroxypropan-2-yl)-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide

C22H24N6O5S — CID 59352969

IUPACN-[3-[2-(1,3-dihydroxypropan-2-yl)-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide
SMILESCOc1ccc(C(CO)CO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1
InChIInChI=1S/C22H24N6O5S/c1-28-10-20(23-13-28)34(31,32)27-22-21(24-17-5-3-4-6-18(17)25-22)26-19-9-15(33-2)7-8-16(19)14(11-29)12-30/h3-10,13-14,29-30H,11-12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyHTAZXGNJUCWRTB-UHFFFAOYSA-N
MW484.54 g/mol
LogP1.98
Rot. Bonds9

About N-[3-[2-(1,3-dihydroxypropan-2-yl)-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide

N-[3-[2-(1,3-dihydroxypropan-2-yl)-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide (PubChem CID 59352969) has the molecular formula C22H24N6O5S and a molecular weight of 484.54 g/mol. Its IUPAC name is N-[3-[2-(1,3-dihydroxypropan-2-yl)-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(1,3-dihydroxypropan-2-yl)-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide
PubChem CID59352969
Molecular FormulaC22H24N6O5S
Molecular Weight484.54 g/mol
Exact Mass484.15
IUPAC NameN-[3-[2-(1,3-dihydroxypropan-2-yl)-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide
SMILESCOc1ccc(C(CO)CO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1
InChIInChI=1S/C22H24N6O5S/c1-28-10-20(23-13-28)34(31,32)27-22-21(24-17-5-3-4-6-18(17)25-22)26-19-9-15(33-2)7-8-16(19)14(11-29)12-30/h3-10,13-14,29-30H,11-12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyHTAZXGNJUCWRTB-UHFFFAOYSA-N
XLogP1.98
TPSA151.49 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1,3-dihydroxypropan-2-yl)-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[3-[2-(1,3-dihydroxypropan-2-yl)-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide (CID 59352969) is N-[3-[2-(1,3-dihydroxypropan-2-yl)-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[3-[2-(1,3-dihydroxypropan-2-yl)-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[3-[2-(1,3-dihydroxypropan-2-yl)-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide is COc1ccc(C(CO)CO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1.
What is the InChIKey of N-[3-[2-(1,3-dihydroxypropan-2-yl)-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide?
The InChIKey is HTAZXGNJUCWRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O5S/c1-28-10-20(23-13-28)34(31,32)27-22-21(24-17-5-3-4-6-18(17)25-22)26-19-9-15(33-2)7-8-16(19)14(11-29)12-30/h3-10,13-14,29-30H,11-12H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[2-(1,3-dihydroxypropan-2-yl)-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide?
N-[3-[2-(1,3-dihydroxypropan-2-yl)-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide has a molecular weight of 484.54 g/mol, XLogP of 1.98, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1,3-dihydroxypropan-2-yl)-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 59352969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).