N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide

C₁₃H₁₉F₂NO₃S — CID 103836871

About N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide

N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 103836871) has the molecular formula C₁₃H₁₉F₂NO₃S and a molecular weight of 307.36 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide
• PubChem CID: 103836871
• Molecular Formula: C₁₃H₁₉F₂NO₃S
• Molecular Weight: 307.36 g/mol
• Exact Mass: 307.11
• IUPAC Name: N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide
• SMILES: Cc1cc(C)c(C)c(S(=O)(=O)NCC(O)C(F)F)c1C
• InChI: InChI=1S/C13H19F2NO3S/c1-7-5-8(2)10(4)12(9(7)3)20(18,19)16-6-11(17)13(14)15/h5,11,13,16-17H,6H2,1-4H3
• InChIKey: NPBJJCGKYLJWJF-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 66.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.36
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide?

The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide (CID 103836871) is N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide.

What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide?

The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCC(O)C(F)F)c1C.

What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide?

The InChIKey is NPBJJCGKYLJWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO3S/c1-7-5-8(2)10(4)12(9(7)3)20(18,19)16-6-11(17)13(14)15/h5,11,13,16-17H,6H2,1-4H3.

What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide?

N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 307.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 103836871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103836871 — identifiers, structure, computed properties (public domain)

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