(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol

C10H11ClFNO3S — CID 66291100

IUPAC(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(F)cc1Cl)N1CC[C@@H](O)C1
InChIInChI=1S/C10H11ClFNO3S/c11-9-5-7(12)1-2-10(9)17(15,16)13-4-3-8(14)6-13/h1-2,5,8,14H,3-4,6H2/t8-/m1/s1
InChIKeyPJWOKZRDLFYGMG-MRVPVSSYSA-N
MW279.72 g/mol
LogP1.23
Rot. Bonds2

About (3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol

(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 66291100) has the molecular formula C10H11ClFNO3S and a molecular weight of 279.72 g/mol. Its IUPAC name is (3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
PubChem CID66291100
Molecular FormulaC10H11ClFNO3S
Molecular Weight279.72 g/mol
Exact Mass279.01
IUPAC Name(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(F)cc1Cl)N1CC[C@@H](O)C1
InChIInChI=1S/C10H11ClFNO3S/c11-9-5-7(12)1-2-10(9)17(15,16)13-4-3-8(14)6-13/h1-2,5,8,14H,3-4,6H2/t8-/m1/s1
InChIKeyPJWOKZRDLFYGMG-MRVPVSSYSA-N
XLogP1.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol (CID 66291100) is (3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol is O=S(=O)(c1ccc(F)cc1Cl)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is PJWOKZRDLFYGMG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11ClFNO3S/c11-9-5-7(12)1-2-10(9)17(15,16)13-4-3-8(14)6-13/h1-2,5,8,14H,3-4,6H2/t8-/m1/s1.
What are the key properties of (3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol?
(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 279.72 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 66291100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).