N,N-dimethyl-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenesulfonamide;6-(2,6-dimethyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(4-ethylsulfonylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine

C92H108F3N15O12S6 — CID 158809802

About N,N-dimethyl-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenesulfonamide;6-(2,6-dimethyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(4-ethylsulfonylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine

N,N-dimethyl-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenesulfonamide;6-(2,6-dimethyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(4-ethylsulfonylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine (PubChem CID 158809802) has the molecular formula C92H108F3N15O12S6 and a molecular weight of 1865.36 g/mol. Its IUPAC name is N,N-dimethyl-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenesulfonamide;6-(2,6-dimethyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(4-ethylsulfonylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine.

Molecular Properties

• Compound Name: N,N-dimethyl-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenesulfonamide;6-(2,6-dimethyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(4-ethylsulfonylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine
• PubChem CID: 158809802
• Molecular Formula: C92H108F3N15O12S6
• Molecular Weight: 1865.36 g/mol
• Exact Mass: 1863.66
• IUPAC Name: N,N-dimethyl-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenesulfonamide;6-(2,6-dimethyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(4-ethylsulfonylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine
• SMILES: CCS(=O)(=O)c1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cc1.CN(C)S(=O)(=O)c1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cc1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)C(C)C)CC3)c3cnccc3c2)ccn1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CC(F)(F)F)CC3)c3cnccc3c2)cc(C)n1
• InChI: InChI=1S/C23H25F3N4O2S.C23H28N4O4S2.C23H28N4O2S.C23H27N3O4S2/c1-15-9-18(10-16(2)28-15)19-11-17-3-6-27-13-21(17)22(12-19)29-20-4-7-30(8-5-20)33(31,32)14-23(24,25)26;1-26(2)33(30,31)21-6-4-17(5-7-21)19-14-18-8-11-24-16-22(18)23(15-19)25-20-9-12-27(13-10-20)32(3,28)29;1-16(2)30(28,29)27-10-6-21(7-11-27)26-23-14-20(18-5-9-25-17(3)12-18)13-19-4-8-24-15-22(19)23;1-3-32(29,30)21-6-4-17(5-7-21)19-14-18-8-11-24-16-22(18)23(15-19)25-20-9-12-26(13-10-20)31(2,27)28/h3,6,9-13,20,29H,4-5,7-8,14H2,1-2H3;4-8,11,14-16,20,25H,9-10,12-13H2,1-3H3;4-5,8-9,12-16,21,26H,6-7,10-11H2,1-3H3;4-8,11,14-16,20,25H,3,9-10,12-13H2,1-2H3
• InChIKey: IUNNYRJXRIXZLY-UHFFFAOYSA-N
• XLogP: 15.42
• TPSA: 346.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1865.36
LogP ≤ 5	15.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenesulfonamide;6-(2,6-dimethyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(4-ethylsulfonylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine?

The IUPAC name of N,N-dimethyl-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenesulfonamide;6-(2,6-dimethyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(4-ethylsulfonylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine (CID 158809802) is N,N-dimethyl-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenesulfonamide;6-(2,6-dimethyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(4-ethylsulfonylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine.

What is the SMILES notation for N,N-dimethyl-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenesulfonamide;6-(2,6-dimethyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(4-ethylsulfonylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine?

The canonical SMILES for N,N-dimethyl-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenesulfonamide;6-(2,6-dimethyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(4-ethylsulfonylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine is CCS(=O)(=O)c1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cc1.CN(C)S(=O)(=O)c1ccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)cc1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)C(C)C)CC3)c3cnccc3c2)ccn1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)CC(F)(F)F)CC3)c3cnccc3c2)cc(C)n1.

What is the InChIKey of N,N-dimethyl-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenesulfonamide;6-(2,6-dimethyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(4-ethylsulfonylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine?

The InChIKey is IUNNYRJXRIXZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O2S.C23H28N4O4S2.C23H28N4O2S.C23H27N3O4S2/c1-15-9-18(10-16(2)28-15)19-11-17-3-6-27-13-21(17)22(12-19)29-20-4-7-30(8-5-20)33(31,32)14-23(24,25)26;1-26(2)33(30,31)21-6-4-17(5-7-21)19-14-18-8-11-24-16-22(18)23(15-19)25-20-9-12-27(13-10-20)32(3,28)29;1-16(2)30(28,29)27-10-6-21(7-11-27)26-23-14-20(18-5-9-25-17(3)12-18)13-19-4-8-24-15-22(19)23;1-3-32(29,30)21-6-4-17(5-7-21)19-14-18-8-11-24-16-22(18)23(15-19)25-20-9-12-26(13-10-20)31(2,27)28/h3,6,9-13,20,29H,4-5,7-8,14H2,1-2H3;4-8,11,14-16,20,25H,9-10,12-13H2,1-3H3;4-5,8-9,12-16,21,26H,6-7,10-11H2,1-3H3;4-8,11,14-16,20,25H,3,9-10,12-13H2,1-2H3.

What are the key properties of N,N-dimethyl-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenesulfonamide;6-(2,6-dimethyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(4-ethylsulfonylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine?

N,N-dimethyl-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenesulfonamide;6-(2,6-dimethyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(4-ethylsulfonylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine has a molecular weight of 1865.36 g/mol, XLogP of 15.42, 22 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenesulfonamide;6-(2,6-dimethyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(4-ethylsulfonylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine is sourced from PubChem (CID 158809802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).