(2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide

C₇H₁₀FN₃O₃S — CID 134541723

About (2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide

(2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide (PubChem CID 134541723) has the molecular formula C₇H₁₀FN₃O₃S and a molecular weight of 235.24 g/mol. Its IUPAC name is (2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide.

Molecular Properties

• Compound Name: (2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide
• PubChem CID: 134541723
• Molecular Formula: C₇H₁₀FN₃O₃S
• Molecular Weight: 235.24 g/mol
• Exact Mass: 235.04
• IUPAC Name: (2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide
• SMILES: C[C@@](O)(CS(N)(=O)=O)c1ncc(F)cn1
• InChI: InChI=1S/C7H10FN3O3S/c1-7(12,4-15(9,13)14)6-10-2-5(8)3-11-6/h2-3,12H,4H2,1H3,(H2,9,13,14)/t7-/m1/s1
• InChIKey: BZSYWDMRVRNWKD-SSDOTTSWSA-N
• XLogP: -0.89
• TPSA: 106.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	235.24
LogP ≤ 5	-0.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide?

The IUPAC name of (2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide (CID 134541723) is (2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide.

What is the SMILES notation for (2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide?

The canonical SMILES for (2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide is C[C@@](O)(CS(N)(=O)=O)c1ncc(F)cn1.

What is the InChIKey of (2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide?

The InChIKey is BZSYWDMRVRNWKD-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10FN3O3S/c1-7(12,4-15(9,13)14)6-10-2-5(8)3-11-6/h2-3,12H,4H2,1H3,(H2,9,13,14)/t7-/m1/s1.

What are the key properties of (2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide?

(2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide has a molecular weight of 235.24 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide is sourced from PubChem (CID 134541723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134541723 — identifiers, structure, computed properties (public domain)

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