1-(2-fluorophenyl)sulfonylpyrrolidin-3-ol

C10H12FNO3S — CID 6733533

IUPAC1-(2-fluorophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccccc1F)N1CCC(O)C1
InChIInChI=1S/C10H12FNO3S/c11-9-3-1-2-4-10(9)16(14,15)12-6-5-8(13)7-12/h1-4,8,13H,5-7H2
InChIKeyCWNKNSXDOYBCRC-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.58
Rot. Bonds2

About 1-(2-fluorophenyl)sulfonylpyrrolidin-3-ol

1-(2-fluorophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 6733533) has the molecular formula C10H12FNO3S and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonylpyrrolidin-3-ol
PubChem CID6733533
Molecular FormulaC10H12FNO3S
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC Name1-(2-fluorophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccccc1F)N1CCC(O)C1
InChIInChI=1S/C10H12FNO3S/c11-9-3-1-2-4-10(9)16(14,15)12-6-5-8(13)7-12/h1-4,8,13H,5-7H2
InChIKeyCWNKNSXDOYBCRC-UHFFFAOYSA-N
XLogP0.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(2-fluorophenyl)sulfonylpyrrolidin-3-ol (CID 6733533) is 1-(2-fluorophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(2-fluorophenyl)sulfonylpyrrolidin-3-ol is O=S(=O)(c1ccccc1F)N1CCC(O)C1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is CWNKNSXDOYBCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3S/c11-9-3-1-2-4-10(9)16(14,15)12-6-5-8(13)7-12/h1-4,8,13H,5-7H2.
What are the key properties of 1-(2-fluorophenyl)sulfonylpyrrolidin-3-ol?
1-(2-fluorophenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 245.27 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 6733533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).