N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-2-sulfonamide

C26H32N4O3S — CID 135348363

About N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-2-sulfonamide

N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-2-sulfonamide (PubChem CID 135348363) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-2-sulfonamide.

Molecular Properties

• Compound Name: N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-2-sulfonamide
• PubChem CID: 135348363
• Molecular Formula: C26H32N4O3S
• Molecular Weight: 480.63 g/mol
• Exact Mass: 480.22
• IUPAC Name: N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-2-sulfonamide
• SMILES: COc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)c1
• InChI: InChI=1S/C26H32N4O3S/c1-18(2)34(31,32)29-23-13-21(14-25(16-23)33-4)26-15-22(17-28-19(26)3)20-5-7-24(8-6-20)30-11-9-27-10-12-30/h5-8,13-18,27,29H,9-12H2,1-4H3
• InChIKey: MCKKWYKONXTPFI-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.63
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-2-sulfonamide?

The IUPAC name of N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-2-sulfonamide (CID 135348363) is N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-2-sulfonamide.

What is the SMILES notation for N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-2-sulfonamide?

The canonical SMILES for N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-2-sulfonamide is COc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)c1.

What is the InChIKey of N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-2-sulfonamide?

The InChIKey is MCKKWYKONXTPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-18(2)34(31,32)29-23-13-21(14-25(16-23)33-4)26-15-22(17-28-19(26)3)20-5-7-24(8-6-20)30-11-9-27-10-12-30/h5-8,13-18,27,29H,9-12H2,1-4H3.

What are the key properties of N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-2-sulfonamide?

N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-2-sulfonamide has a molecular weight of 480.63 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-2-sulfonamide is sourced from PubChem (CID 135348363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).