N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-propan-2-yloxyphenyl]propane-2-sulfonamide

C27H35N5O3S — CID 135348417

About N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-propan-2-yloxyphenyl]propane-2-sulfonamide

N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-propan-2-yloxyphenyl]propane-2-sulfonamide (PubChem CID 135348417) has the molecular formula C27H35N5O3S and a molecular weight of 509.68 g/mol. Its IUPAC name is N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-propan-2-yloxyphenyl]propane-2-sulfonamide.

Molecular Properties

• Compound Name: N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-propan-2-yloxyphenyl]propane-2-sulfonamide
• PubChem CID: 135348417
• Molecular Formula: C27H35N5O3S
• Molecular Weight: 509.68 g/mol
• Exact Mass: 509.25
• IUPAC Name: N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-propan-2-yloxyphenyl]propane-2-sulfonamide
• SMILES: CC(C)Oc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1
• InChI: InChI=1S/C27H35N5O3S/c1-18(2)35-25-14-21(13-23(16-25)31-36(33,34)19(3)4)26-15-22(17-30-27(26)28)20-5-7-24(8-6-20)32-11-9-29-10-12-32/h5-8,13-19,29,31H,9-12H2,1-4H3,(H2,28,30)
• InChIKey: RRNARHMPEAENRG-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 109.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.68
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-propan-2-yloxyphenyl]propane-2-sulfonamide?

The IUPAC name of N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-propan-2-yloxyphenyl]propane-2-sulfonamide (CID 135348417) is N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-propan-2-yloxyphenyl]propane-2-sulfonamide.

What is the SMILES notation for N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-propan-2-yloxyphenyl]propane-2-sulfonamide?

The canonical SMILES for N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-propan-2-yloxyphenyl]propane-2-sulfonamide is CC(C)Oc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1.

What is the InChIKey of N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-propan-2-yloxyphenyl]propane-2-sulfonamide?

The InChIKey is RRNARHMPEAENRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O3S/c1-18(2)35-25-14-21(13-23(16-25)31-36(33,34)19(3)4)26-15-22(17-30-27(26)28)20-5-7-24(8-6-20)32-11-9-29-10-12-32/h5-8,13-19,29,31H,9-12H2,1-4H3,(H2,28,30).

What are the key properties of N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-propan-2-yloxyphenyl]propane-2-sulfonamide?

N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-propan-2-yloxyphenyl]propane-2-sulfonamide has a molecular weight of 509.68 g/mol, XLogP of 4.34, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-propan-2-yloxyphenyl]propane-2-sulfonamide is sourced from PubChem (CID 135348417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).