JZFNPNMFNVFEGQ-PHIMTYICSA-N

C₁₇H₂₀ClN₅O₃S — CID 121253088

About JZFNPNMFNVFEGQ-PHIMTYICSA-N

JZFNPNMFNVFEGQ-PHIMTYICSA-N (PubChem CID 121253088) has the molecular formula C₁₇H₂₀ClN₅O₃S and a molecular weight of 409.90 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: JZFNPNMFNVFEGQ-PHIMTYICSA-N
• PubChem CID: 121253088
• Molecular Formula: C₁₇H₂₀ClN₅O₃S
• Molecular Weight: 409.90 g/mol
• Exact Mass: 409.10
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: C[C@@H]1CC[C@H](C)N1c1nc(Cl)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1
• InChI: InChI=1S/C17H20ClN5O3S/c1-10-6-7-11(2)23(10)16-12(8-9-13(18)20-16)17(24)22-27(25,26)15-5-3-4-14(19)21-15/h3-5,8-11H,6-7H2,1-2H3,(H2,19,21)(H,22,24)/t10-,11+
• InChIKey: JZFNPNMFNVFEGQ-PHIMTYICSA-N
• XLogP: 2.21
• TPSA: 118.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.90
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of JZFNPNMFNVFEGQ-PHIMTYICSA-N?

The IUPAC name of JZFNPNMFNVFEGQ-PHIMTYICSA-N (CID 121253088) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for JZFNPNMFNVFEGQ-PHIMTYICSA-N?

The canonical SMILES for JZFNPNMFNVFEGQ-PHIMTYICSA-N is C[C@@H]1CC[C@H](C)N1c1nc(Cl)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1.

What is the InChIKey of JZFNPNMFNVFEGQ-PHIMTYICSA-N?

The InChIKey is JZFNPNMFNVFEGQ-PHIMTYICSA-N. The full InChI is InChI=1S/C17H20ClN5O3S/c1-10-6-7-11(2)23(10)16-12(8-9-13(18)20-16)17(24)22-27(25,26)15-5-3-4-14(19)21-15/h3-5,8-11H,6-7H2,1-2H3,(H2,19,21)(H,22,24)/t10-,11+.

What are the key properties of JZFNPNMFNVFEGQ-PHIMTYICSA-N?

JZFNPNMFNVFEGQ-PHIMTYICSA-N has a molecular weight of 409.90 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for JZFNPNMFNVFEGQ-PHIMTYICSA-N is sourced from PubChem (CID 121253088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121253088 — identifiers, structure, computed properties (public domain)

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