VWSLGPLZFXZRAI-CYBMUJFWSA-N

C₁₉H₁₇F₃N₄O₅S — CID 155061945

About VWSLGPLZFXZRAI-CYBMUJFWSA-N

VWSLGPLZFXZRAI-CYBMUJFWSA-N (PubChem CID 155061945) has the molecular formula C₁₉H₁₇F₃N₄O₅S and a molecular weight of 470.43 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-3-[(3R)-5,5-difluoro-3-hydroxypent-4-enoxy]-1-methyl-4-(methylideneamino)sulfonylpyrrole-2-carboxamide.

Molecular Properties

• Compound Name: VWSLGPLZFXZRAI-CYBMUJFWSA-N
• PubChem CID: 155061945
• Molecular Formula: C₁₉H₁₇F₃N₄O₅S
• Molecular Weight: 470.43 g/mol
• Exact Mass: 470.09
• IUPAC Name: N-(3-cyano-4-fluorophenyl)-3-[(3R)-5,5-difluoro-3-hydroxypent-4-enoxy]-1-methyl-4-(methylideneamino)sulfonylpyrrole-2-carboxamide
• SMILES: C=NS(=O)(=O)c1cn(C)c(C(=O)Nc2ccc(F)c(C#N)c2)c1OCC[C@@H](O)C=C(F)F
• InChI: InChI=1S/C19H17F3N4O5S/c1-24-32(29,30)15-10-26(2)17(18(15)31-6-5-13(27)8-16(21)22)19(28)25-12-3-4-14(20)11(7-12)9-23/h3-4,7-8,10,13,27H,1,5-6H2,2H3,(H,25,28)/t13-/m1/s1
• InChIKey: VWSLGPLZFXZRAI-CYBMUJFWSA-N
• XLogP: 2.59
• TPSA: 133.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.43
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of VWSLGPLZFXZRAI-CYBMUJFWSA-N?

The IUPAC name of VWSLGPLZFXZRAI-CYBMUJFWSA-N (CID 155061945) is N-(3-cyano-4-fluorophenyl)-3-[(3R)-5,5-difluoro-3-hydroxypent-4-enoxy]-1-methyl-4-(methylideneamino)sulfonylpyrrole-2-carboxamide.

What is the SMILES notation for VWSLGPLZFXZRAI-CYBMUJFWSA-N?

The canonical SMILES for VWSLGPLZFXZRAI-CYBMUJFWSA-N is C=NS(=O)(=O)c1cn(C)c(C(=O)Nc2ccc(F)c(C#N)c2)c1OCC[C@@H](O)C=C(F)F.

What is the InChIKey of VWSLGPLZFXZRAI-CYBMUJFWSA-N?

The InChIKey is VWSLGPLZFXZRAI-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17F3N4O5S/c1-24-32(29,30)15-10-26(2)17(18(15)31-6-5-13(27)8-16(21)22)19(28)25-12-3-4-14(20)11(7-12)9-23/h3-4,7-8,10,13,27H,1,5-6H2,2H3,(H,25,28)/t13-/m1/s1.

What are the key properties of VWSLGPLZFXZRAI-CYBMUJFWSA-N?

VWSLGPLZFXZRAI-CYBMUJFWSA-N has a molecular weight of 470.43 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for VWSLGPLZFXZRAI-CYBMUJFWSA-N is sourced from PubChem (CID 155061945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155061945 — identifiers, structure, computed properties (public domain)

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