[(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol

C19H18F2N2O3S — CID 126583952

About [(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol

[(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol (PubChem CID 126583952) has the molecular formula C19H18F2N2O3S and a molecular weight of 392.43 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: [(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol
• PubChem CID: 126583952
• Molecular Formula: C19H18F2N2O3S
• Molecular Weight: 392.43 g/mol
• Exact Mass: 392.10
• IUPAC Name: [(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol
• SMILES: O=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cc1)N1C[C@@H](F)C[C@H]1CO
• InChI: InChI=1S/C19H18F2N2O3S/c20-13-3-6-17-18(9-22-19(17)8-13)12-1-4-16(5-2-12)27(25,26)23-10-14(21)7-15(23)11-24/h1-6,8-9,14-15,22,24H,7,10-11H2/t14-,15-/m0/s1
• InChIKey: RLDAZNHNPRHROZ-GJZGRUSLSA-N
• XLogP: 3.07
• TPSA: 73.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.43
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol?

The IUPAC name of [(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol (CID 126583952) is [(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol.

What is the SMILES notation for [(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol?

The canonical SMILES for [(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol is O=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cc1)N1C[C@@H](F)C[C@H]1CO.

What is the InChIKey of [(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol?

The InChIKey is RLDAZNHNPRHROZ-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H18F2N2O3S/c20-13-3-6-17-18(9-22-19(17)8-13)12-1-4-16(5-2-12)27(25,26)23-10-14(21)7-15(23)11-24/h1-6,8-9,14-15,22,24H,7,10-11H2/t14-,15-/m0/s1.

What are the key properties of [(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol?

[(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 392.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 126583952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).