[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol

C14H20FNO3S — CID 83224560

IUPAC[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol
SMILESCCC1CCC(C)N1S(=O)(=O)c1cc(CO)ccc1F
InChIInChI=1S/C14H20FNO3S/c1-3-12-6-4-10(2)16(12)20(18,19)14-8-11(9-17)5-7-13(14)15/h5,7-8,10,12,17H,3-4,6,9H2,1-2H3
InChIKeyVPEROPPDOZCZPU-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.27
Rot. Bonds4

About [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol

[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol (PubChem CID 83224560) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol
PubChem CID83224560
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol
SMILESCCC1CCC(C)N1S(=O)(=O)c1cc(CO)ccc1F
InChIInChI=1S/C14H20FNO3S/c1-3-12-6-4-10(2)16(12)20(18,19)14-8-11(9-17)5-7-13(14)15/h5,7-8,10,12,17H,3-4,6,9H2,1-2H3
InChIKeyVPEROPPDOZCZPU-UHFFFAOYSA-N
XLogP2.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol?
The IUPAC name of [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol (CID 83224560) is [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol.
What is the SMILES notation for [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol?
The canonical SMILES for [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol is CCC1CCC(C)N1S(=O)(=O)c1cc(CO)ccc1F.
What is the InChIKey of [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol?
The InChIKey is VPEROPPDOZCZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-3-12-6-4-10(2)16(12)20(18,19)14-8-11(9-17)5-7-13(14)15/h5,7-8,10,12,17H,3-4,6,9H2,1-2H3.
What are the key properties of [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol?
[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol has a molecular weight of 301.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol is sourced from PubChem (CID 83224560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).