[(2R)-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]methanol

C12H16FNO3S — CID 174917991

IUPAC[(2R)-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]methanol
SMILESC[C@]1(CO)CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO3S/c1-12(9-15)7-2-8-14(12)18(16,17)11-5-3-10(13)4-6-11/h3-6,15H,2,7-9H2,1H3/t12-/m1/s1
InChIKeyNRQUTHDAOFDQTR-GFCCVEGCSA-N
MW273.33 g/mol
LogP1.36
Rot. Bonds3

About [(2R)-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]methanol

[(2R)-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]methanol (PubChem CID 174917991) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is [(2R)-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]methanol
PubChem CID174917991
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name[(2R)-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]methanol
SMILESC[C@]1(CO)CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO3S/c1-12(9-15)7-2-8-14(12)18(16,17)11-5-3-10(13)4-6-11/h3-6,15H,2,7-9H2,1H3/t12-/m1/s1
InChIKeyNRQUTHDAOFDQTR-GFCCVEGCSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]methanol (CID 174917991) is [(2R)-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]methanol is C[C@]1(CO)CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of [(2R)-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]methanol?
The InChIKey is NRQUTHDAOFDQTR-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-12(9-15)7-2-8-14(12)18(16,17)11-5-3-10(13)4-6-11/h3-6,15H,2,7-9H2,1H3/t12-/m1/s1.
What are the key properties of [(2R)-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]methanol?
[(2R)-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]methanol has a molecular weight of 273.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 174917991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).