3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol

C14H20FNO3S — CID 62468480

IUPAC3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCCC1CCCO
InChIInChI=1S/C14H20FNO3S/c1-11-6-7-12(15)10-14(11)20(18,19)16-8-2-4-13(16)5-3-9-17/h6-7,10,13,17H,2-5,8-9H2,1H3
InChIKeyXTBBBIFSAWIART-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.06
Rot. Bonds5

About 3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol

3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol (PubChem CID 62468480) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
PubChem CID62468480
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCCC1CCCO
InChIInChI=1S/C14H20FNO3S/c1-11-6-7-12(15)10-14(11)20(18,19)16-8-2-4-13(16)5-3-9-17/h6-7,10,13,17H,2-5,8-9H2,1H3
InChIKeyXTBBBIFSAWIART-UHFFFAOYSA-N
XLogP2.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol (CID 62468480) is 3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol is Cc1ccc(F)cc1S(=O)(=O)N1CCCC1CCCO.
What is the InChIKey of 3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol?
The InChIKey is XTBBBIFSAWIART-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-11-6-7-12(15)10-14(11)20(18,19)16-8-2-4-13(16)5-3-9-17/h6-7,10,13,17H,2-5,8-9H2,1H3.
What are the key properties of 3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol?
3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol has a molecular weight of 301.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62468480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).