2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]-N,5-dimethylbenzamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide

C97H113N17O8S2 — CID 158022209

About 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]-N,5-dimethylbenzamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide

2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]-N,5-dimethylbenzamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide (PubChem CID 158022209) has the molecular formula C97H113N17O8S2 and a molecular weight of 1709.22 g/mol. Its IUPAC name is 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]-N,5-dimethylbenzamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]-N,5-dimethylbenzamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide
• PubChem CID: 158022209
• Molecular Formula: C97H113N17O8S2
• Molecular Weight: 1709.22 g/mol
• Exact Mass: 1707.84
• IUPAC Name: 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]-N,5-dimethylbenzamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide
• SMILES: CNC(=O)c1cc(C)ccc1N1CCN(C(=O)c2cc(NC3CCN(c4ccccc4C#N)CC3)c(C)cc2C)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1CC1CCN(c2ccccc2C#N)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1NC1CCN(c2ccccc2C#N)CC1
• InChI: InChI=1S/C34H40N6O2.C32H37N5O3S.C31H36N6O3S/c1-23-9-10-32(29(19-23)33(41)36-4)39-15-17-40(18-16-39)34(42)28-21-30(25(3)20-24(28)2)37-27-11-13-38(14-12-27)31-8-6-5-7-26(31)22-35;1-23-19-24(2)28(21-27(23)20-25-11-13-35(14-12-25)29-8-4-3-7-26(29)22-33)32(38)37-17-15-36(16-18-37)30-9-5-6-10-31(30)41(34,39)40;1-22-19-23(2)27(34-25-11-13-35(14-12-25)28-8-4-3-7-24(28)21-32)20-26(22)31(38)37-17-15-36(16-18-37)29-9-5-6-10-30(29)41(33,39)40/h5-10,19-21,27,37H,11-18H2,1-4H3,(H,36,41);3-10,19,21,25H,11-18,20H2,1-2H3,(H2,34,39,40);3-10,19-20,25,34H,11-18H2,1-2H3,(H2,33,39,40)
• InChIKey: FGEOPMBZFRHHMG-UHFFFAOYSA-N
• XLogP: 13.00
• TPSA: 325.22 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1709.22
LogP ≤ 5	13.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]-N,5-dimethylbenzamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide?

The IUPAC name of 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]-N,5-dimethylbenzamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide (CID 158022209) is 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]-N,5-dimethylbenzamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide.

What is the SMILES notation for 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]-N,5-dimethylbenzamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide?

The canonical SMILES for 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]-N,5-dimethylbenzamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide is CNC(=O)c1cc(C)ccc1N1CCN(C(=O)c2cc(NC3CCN(c4ccccc4C#N)CC3)c(C)cc2C)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1CC1CCN(c2ccccc2C#N)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1NC1CCN(c2ccccc2C#N)CC1.

What is the InChIKey of 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]-N,5-dimethylbenzamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide?

The InChIKey is FGEOPMBZFRHHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N6O2.C32H37N5O3S.C31H36N6O3S/c1-23-9-10-32(29(19-23)33(41)36-4)39-15-17-40(18-16-39)34(42)28-21-30(25(3)20-24(28)2)37-27-11-13-38(14-12-27)31-8-6-5-7-26(31)22-35;1-23-19-24(2)28(21-27(23)20-25-11-13-35(14-12-25)29-8-4-3-7-26(29)22-33)32(38)37-17-15-36(16-18-37)30-9-5-6-10-31(30)41(34,39)40;1-22-19-23(2)27(34-25-11-13-35(14-12-25)28-8-4-3-7-24(28)21-32)20-26(22)31(38)37-17-15-36(16-18-37)29-9-5-6-10-30(29)41(33,39)40/h5-10,19-21,27,37H,11-18H2,1-4H3,(H,36,41);3-10,19,21,25H,11-18,20H2,1-2H3,(H2,34,39,40);3-10,19-20,25,34H,11-18H2,1-2H3,(H2,33,39,40).

What are the key properties of 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]-N,5-dimethylbenzamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide?

2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]-N,5-dimethylbenzamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide has a molecular weight of 1709.22 g/mol, XLogP of 13.00, 18 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]-N,5-dimethylbenzamide;2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 158022209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).