VSWXGVRCLUURQS-UHFFFAOYSA-N

C₁₇H₁₈ClF₂N₅O₃S — CID 146525891

About VSWXGVRCLUURQS-UHFFFAOYSA-N

VSWXGVRCLUURQS-UHFFFAOYSA-N (PubChem CID 146525891) has the molecular formula C₁₇H₁₈ClF₂N₅O₃S and a molecular weight of 445.88 g/mol. Its IUPAC name is 6-chloro-2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: VSWXGVRCLUURQS-UHFFFAOYSA-N
• PubChem CID: 146525891
• Molecular Formula: C₁₇H₁₈ClF₂N₅O₃S
• Molecular Weight: 445.88 g/mol
• Exact Mass: 445.08
• IUPAC Name: 6-chloro-2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide
• SMILES: Cc1cc(Cl)nc(N2CCC(F)(F)CC2)c1C(=O)Nc1cncc(S(N)(=O)=O)c1
• InChI: InChI=1S/C17H18ClF2N5O3S/c1-10-6-13(18)24-15(25-4-2-17(19,20)3-5-25)14(10)16(26)23-11-7-12(9-22-8-11)29(21,27)28/h6-9H,2-5H2,1H3,(H,23,26)(H2,21,27,28)
• InChIKey: VSWXGVRCLUURQS-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 118.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.88
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of VSWXGVRCLUURQS-UHFFFAOYSA-N?

The IUPAC name of VSWXGVRCLUURQS-UHFFFAOYSA-N (CID 146525891) is 6-chloro-2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide.

What is the SMILES notation for VSWXGVRCLUURQS-UHFFFAOYSA-N?

The canonical SMILES for VSWXGVRCLUURQS-UHFFFAOYSA-N is Cc1cc(Cl)nc(N2CCC(F)(F)CC2)c1C(=O)Nc1cncc(S(N)(=O)=O)c1.

What is the InChIKey of VSWXGVRCLUURQS-UHFFFAOYSA-N?

The InChIKey is VSWXGVRCLUURQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N5O3S/c1-10-6-13(18)24-15(25-4-2-17(19,20)3-5-25)14(10)16(26)23-11-7-12(9-22-8-11)29(21,27)28/h6-9H,2-5H2,1H3,(H,23,26)(H2,21,27,28).

What are the key properties of VSWXGVRCLUURQS-UHFFFAOYSA-N?

VSWXGVRCLUURQS-UHFFFAOYSA-N has a molecular weight of 445.88 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for VSWXGVRCLUURQS-UHFFFAOYSA-N is sourced from PubChem (CID 146525891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146525891 — identifiers, structure, computed properties (public domain)

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