(2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid

C₂₄H₂₀F₂N₄O₄S — CID 71071039

About (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid

(2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid (PubChem CID 71071039) has the molecular formula C₂₄H₂₀F₂N₄O₄S and a molecular weight of 498.51 g/mol. Its IUPAC name is (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid.

Molecular Properties

• Compound Name: (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid
• PubChem CID: 71071039
• Molecular Formula: C₂₄H₂₀F₂N₄O₄S
• Molecular Weight: 498.51 g/mol
• Exact Mass: 498.12
• IUPAC Name: (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid
• SMILES: CCn1cc(-c2ccncc2)c(-c2cccc(N(C(=O)O)S(=O)(=O)c3cc(F)ccc3F)c2C)n1
• InChI: InChI=1S/C24H20F2N4O4S/c1-3-29-14-19(16-9-11-27-12-10-16)23(28-29)18-5-4-6-21(15(18)2)30(24(31)32)35(33,34)22-13-17(25)7-8-20(22)26/h4-14H,3H2,1-2H3,(H,31,32)
• InChIKey: QOJWDMCGNFJGDG-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 105.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.51
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid?

The IUPAC name of (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid (CID 71071039) is (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid.

What is the SMILES notation for (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid?

The canonical SMILES for (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid is CCn1cc(-c2ccncc2)c(-c2cccc(N(C(=O)O)S(=O)(=O)c3cc(F)ccc3F)c2C)n1.

What is the InChIKey of (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid?

The InChIKey is QOJWDMCGNFJGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O4S/c1-3-29-14-19(16-9-11-27-12-10-16)23(28-29)18-5-4-6-21(15(18)2)30(24(31)32)35(33,34)22-13-17(25)7-8-20(22)26/h4-14H,3H2,1-2H3,(H,31,32).

What are the key properties of (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid?

(2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid has a molecular weight of 498.51 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid is sourced from PubChem (CID 71071039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71071039 — identifiers, structure, computed properties (public domain)

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