[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]methanol

C17H18FNO3S — CID 141027162

IUPAC[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]methanol
SMILESO=S(=O)(c1ccccc1CO)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C17H18FNO3S/c18-15-9-7-13(8-10-15)16-5-3-11-19(16)23(21,22)17-6-2-1-4-14(17)12-20/h1-2,4,6-10,16,20H,3,5,11-12H2
InChIKeyDZVISTODRGUKIA-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.84
Rot. Bonds4

About [2-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]methanol

[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]methanol (PubChem CID 141027162) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is [2-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]methanol.

Molecular Properties

Compound Name[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]methanol
PubChem CID141027162
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]methanol
SMILESO=S(=O)(c1ccccc1CO)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C17H18FNO3S/c18-15-9-7-13(8-10-15)16-5-3-11-19(16)23(21,22)17-6-2-1-4-14(17)12-20/h1-2,4,6-10,16,20H,3,5,11-12H2
InChIKeyDZVISTODRGUKIA-UHFFFAOYSA-N
XLogP2.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]methanol?
The IUPAC name of [2-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]methanol (CID 141027162) is [2-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]methanol.
What is the SMILES notation for [2-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]methanol?
The canonical SMILES for [2-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]methanol is O=S(=O)(c1ccccc1CO)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of [2-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]methanol?
The InChIKey is DZVISTODRGUKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c18-15-9-7-13(8-10-15)16-5-3-11-19(16)23(21,22)17-6-2-1-4-14(17)12-20/h1-2,4,6-10,16,20H,3,5,11-12H2.
What are the key properties of [2-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]methanol?
[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]methanol has a molecular weight of 335.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]methanol is sourced from PubChem (CID 141027162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).