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

C26H30N6O4S — CID 24993756

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

N-[3-[2-[(4-hydroxycyclohexyl)methyl]-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide (PubChem CID 24993756) has the molecular formula C26H30N6O4S and a molecular weight of 522.63 g/mol. Its IUPAC name is N-[3-[2-[(4-hydroxycyclohexyl)methyl]-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

• Compound Name: N-[3-[2-[(4-hydroxycyclohexyl)methyl]-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide
• PubChem CID: 24993756
• Molecular Formula: C26H30N6O4S
• Molecular Weight: 522.63 g/mol
• Exact Mass: 522.20
• IUPAC Name: N-[3-[2-[(4-hydroxycyclohexyl)methyl]-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide
• SMILES: COc1ccc(CC2CCC(O)CC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1
• InChI: InChI=1S/C26H30N6O4S/c1-32-15-24(27-16-32)37(34,35)31-26-25(28-21-5-3-4-6-22(21)29-26)30-23-14-20(36-2)12-9-18(23)13-17-7-10-19(33)11-8-17/h3-6,9,12,14-17,19,33H,7-8,10-11,13H2,1-2H3,(H,28,30)(H,29,31)
• InChIKey: NDVNWVXPTFIPPI-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 131.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.63
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(4-hydroxycyclohexyl)methyl]-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide?

The IUPAC name of N-[3-[2-[(4-hydroxycyclohexyl)methyl]-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide (CID 24993756) is N-[3-[2-[(4-hydroxycyclohexyl)methyl]-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide.

What is the SMILES notation for N-[3-[2-[(4-hydroxycyclohexyl)methyl]-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide?

The canonical SMILES for N-[3-[2-[(4-hydroxycyclohexyl)methyl]-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide is COc1ccc(CC2CCC(O)CC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1.

What is the InChIKey of N-[3-[2-[(4-hydroxycyclohexyl)methyl]-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide?

The InChIKey is NDVNWVXPTFIPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4S/c1-32-15-24(27-16-32)37(34,35)31-26-25(28-21-5-3-4-6-22(21)29-26)30-23-14-20(36-2)12-9-18(23)13-17-7-10-19(33)11-8-17/h3-6,9,12,14-17,19,33H,7-8,10-11,13H2,1-2H3,(H,28,30)(H,29,31).

What are the key properties of N-[3-[2-[(4-hydroxycyclohexyl)methyl]-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide?

N-[3-[2-[(4-hydroxycyclohexyl)methyl]-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide has a molecular weight of 522.63 g/mol, XLogP of 4.01, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[(4-hydroxycyclohexyl)methyl]-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 24993756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).