N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide

C₇H₁₁ClF₂N₄O₂S — CID 114172506

About N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide

N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide (PubChem CID 114172506) has the molecular formula C₇H₁₁ClF₂N₄O₂S and a molecular weight of 288.71 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide.

Molecular Properties

• Compound Name: N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide
• PubChem CID: 114172506
• Molecular Formula: C₇H₁₁ClF₂N₄O₂S
• Molecular Weight: 288.71 g/mol
• Exact Mass: 288.03
• IUPAC Name: N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide
• SMILES: Cn1ncc(Cl)c1S(=O)(=O)NCC(F)(F)CN
• InChI: InChI=1S/C7H11ClF2N4O2S/c1-14-6(5(8)2-12-14)17(15,16)13-4-7(9,10)3-11/h2,13H,3-4,11H2,1H3
• InChIKey: HNMWWAFTBPVGQI-UHFFFAOYSA-N
• XLogP: -0.05
• TPSA: 90.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.71
LogP ≤ 5	-0.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide?

The IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide (CID 114172506) is N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide.

What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide?

The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NCC(F)(F)CN.

What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide?

The InChIKey is HNMWWAFTBPVGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClF2N4O2S/c1-14-6(5(8)2-12-14)17(15,16)13-4-7(9,10)3-11/h2,13H,3-4,11H2,1H3.

What are the key properties of N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide?

N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide has a molecular weight of 288.71 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 114172506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114172506 — identifiers, structure, computed properties (public domain)

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