[(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol

C11H13ClFNO3S — CID 66260781

IUPAC[(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cccc(Cl)c1F)N1CCC[C@@H]1CO
InChIInChI=1S/C11H13ClFNO3S/c12-9-4-1-5-10(11(9)13)18(16,17)14-6-2-3-8(14)7-15/h1,4-5,8,15H,2-3,6-7H2/t8-/m1/s1
InChIKeyPUSVAGGUDYXMTF-MRVPVSSYSA-N
MW293.75 g/mol
LogP1.62
Rot. Bonds3

About [(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol

[(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 66260781) has the molecular formula C11H13ClFNO3S and a molecular weight of 293.75 g/mol. Its IUPAC name is [(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID66260781
Molecular FormulaC11H13ClFNO3S
Molecular Weight293.75 g/mol
Exact Mass293.03
IUPAC Name[(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cccc(Cl)c1F)N1CCC[C@@H]1CO
InChIInChI=1S/C11H13ClFNO3S/c12-9-4-1-5-10(11(9)13)18(16,17)14-6-2-3-8(14)7-15/h1,4-5,8,15H,2-3,6-7H2/t8-/m1/s1
InChIKeyPUSVAGGUDYXMTF-MRVPVSSYSA-N
XLogP1.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61408875
1-[(2S)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124574941
[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol
CID 43589685
[1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol
CID 116636713
2,6-difluoro-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 107215276
[(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212258
[1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 61112099
[1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol
CID 43579020
[1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409335
1-(3-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 43361281
[1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 65020971
[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 120708048

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol (CID 66260781) is [(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol is O=S(=O)(c1cccc(Cl)c1F)N1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is PUSVAGGUDYXMTF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13ClFNO3S/c12-9-4-1-5-10(11(9)13)18(16,17)14-6-2-3-8(14)7-15/h1,4-5,8,15H,2-3,6-7H2/t8-/m1/s1.
What are the key properties of [(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
[(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 293.75 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 66260781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).