N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]pyridine-3-sulfonamide

C19H15Cl2N9O2S — CID 71450647

About N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]pyridine-3-sulfonamide

N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]pyridine-3-sulfonamide (PubChem CID 71450647) has the molecular formula C19H15Cl2N9O2S and a molecular weight of 504.36 g/mol. Its IUPAC name is N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]pyridine-3-sulfonamide
• PubChem CID: 71450647
• Molecular Formula: C19H15Cl2N9O2S
• Molecular Weight: 504.36 g/mol
• Exact Mass: 503.04
• IUPAC Name: N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]pyridine-3-sulfonamide
• SMILES: Cc1nc(N)nc(-c2cc(Cl)cnc2Nc2cnc(Cl)c(NS(=O)(=O)c3cccnc3)c2)n1
• InChI: InChI=1S/C19H15Cl2N9O2S/c1-10-26-18(29-19(22)27-10)14-5-11(20)7-25-17(14)28-12-6-15(16(21)24-8-12)30-33(31,32)13-3-2-4-23-9-13/h2-9,30H,1H3,(H,25,28)(H2,22,26,27,29)
• InChIKey: ZANRJYMOJHGSLE-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 161.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.36
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]pyridine-3-sulfonamide?

The IUPAC name of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]pyridine-3-sulfonamide (CID 71450647) is N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]pyridine-3-sulfonamide.

What is the SMILES notation for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]pyridine-3-sulfonamide?

The canonical SMILES for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]pyridine-3-sulfonamide is Cc1nc(N)nc(-c2cc(Cl)cnc2Nc2cnc(Cl)c(NS(=O)(=O)c3cccnc3)c2)n1.

What is the InChIKey of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]pyridine-3-sulfonamide?

The InChIKey is ZANRJYMOJHGSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N9O2S/c1-10-26-18(29-19(22)27-10)14-5-11(20)7-25-17(14)28-12-6-15(16(21)24-8-12)30-33(31,32)13-3-2-4-23-9-13/h2-9,30H,1H3,(H,25,28)(H2,22,26,27,29).

What are the key properties of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]pyridine-3-sulfonamide?

N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]pyridine-3-sulfonamide has a molecular weight of 504.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 71450647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).