N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide

C₈₃H₈₁N₁₅O₁₀S₄ — CID 159451452

About N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide

N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide (PubChem CID 159451452) has the molecular formula C₈₃H₈₁N₁₅O₁₀S₄ and a molecular weight of 1576.92 g/mol. Its IUPAC name is N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide.

Molecular Properties

• Compound Name: N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide
• PubChem CID: 159451452
• Molecular Formula: C₈₃H₈₁N₁₅O₁₀S₄
• Molecular Weight: 1576.92 g/mol
• Exact Mass: 1575.52
• IUPAC Name: N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide
• SMILES: CC(C)CS(=O)(=O)N(c1cccc2cnccc12)S(=O)(=O)CC(C)C.CC(C)CS(=O)(=O)Nc1cccc2cnccc12.Cc1cc2c(NC(=O)c3ccc4ccccc4n3)cccc2nn1.Cc1cc2c(NC(=O)c3ccc4ncccc4c3)cccc2nn1.Cc1cc2c(NS(=O)(=O)c3ccccc3)cccc2nn1
• InChI: InChI=1S/2C19H14N4O.C17H24N2O4S2.C15H13N3O2S.C13H16N2O2S/c1-12-10-15-17(5-2-6-18(15)23-22-12)21-19(24)14-7-8-16-13(11-14)4-3-9-20-16;1-12-11-14-16(7-4-8-17(14)23-22-12)21-19(24)18-10-9-13-5-2-3-6-15(13)20-18;1-13(2)11-24(20,21)19(25(22,23)12-14(3)4)17-7-5-6-15-10-18-9-8-16(15)17;1-11-10-13-14(17-16-11)8-5-9-15(13)18-21(19,20)12-6-3-2-4-7-12;1-10(2)9-18(16,17)15-13-5-3-4-11-8-14-7-6-12(11)13/h2*2-11H,1H3,(H,21,24);5-10,13-14H,11-12H2,1-4H3;2-10,18H,1H3;3-8,10,15H,9H2,1-2H3
• InChIKey: LTKVWHHHVRLONX-UHFFFAOYSA-N
• XLogP: 15.86
• TPSA: 350.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1576.92
LogP ≤ 5	15.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide?

The IUPAC name of N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide (CID 159451452) is N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide.

What is the SMILES notation for N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide?

The canonical SMILES for N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide is CC(C)CS(=O)(=O)N(c1cccc2cnccc12)S(=O)(=O)CC(C)C.CC(C)CS(=O)(=O)Nc1cccc2cnccc12.Cc1cc2c(NC(=O)c3ccc4ccccc4n3)cccc2nn1.Cc1cc2c(NC(=O)c3ccc4ncccc4c3)cccc2nn1.Cc1cc2c(NS(=O)(=O)c3ccccc3)cccc2nn1.

What is the InChIKey of N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide?

The InChIKey is LTKVWHHHVRLONX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H14N4O.C17H24N2O4S2.C15H13N3O2S.C13H16N2O2S/c1-12-10-15-17(5-2-6-18(15)23-22-12)21-19(24)14-7-8-16-13(11-14)4-3-9-20-16;1-12-11-14-16(7-4-8-17(14)23-22-12)21-19(24)18-10-9-13-5-2-3-6-15(13)20-18;1-13(2)11-24(20,21)19(25(22,23)12-14(3)4)17-7-5-6-15-10-18-9-8-16(15)17;1-11-10-13-14(17-16-11)8-5-9-15(13)18-21(19,20)12-6-3-2-4-7-12;1-10(2)9-18(16,17)15-13-5-3-4-11-8-14-7-6-12(11)13/h2*2-11H,1H3,(H,21,24);5-10,13-14H,11-12H2,1-4H3;2-10,18H,1H3;3-8,10,15H,9H2,1-2H3.

What are the key properties of N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide?

N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide has a molecular weight of 1576.92 g/mol, XLogP of 15.86, 18 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide is sourced from PubChem (CID 159451452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159451452 — identifiers, structure, computed properties (public domain)

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