[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol

C11H13ClFNO3S — CID 62372226

IUPAC[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(CO)C1
InChIInChI=1S/C11H13ClFNO3S/c12-10-5-9(1-2-11(10)13)18(16,17)14-4-3-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2
InChIKeyAGVLUJKYDOTYAU-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.48
Rot. Bonds3

About [1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol

[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol (PubChem CID 62372226) has the molecular formula C11H13ClFNO3S and a molecular weight of 293.75 g/mol. Its IUPAC name is [1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol
PubChem CID62372226
Molecular FormulaC11H13ClFNO3S
Molecular Weight293.75 g/mol
Exact Mass293.03
IUPAC Name[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(CO)C1
InChIInChI=1S/C11H13ClFNO3S/c12-10-5-9(1-2-11(10)13)18(16,17)14-4-3-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2
InChIKeyAGVLUJKYDOTYAU-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030275
1-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63264060
[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372743
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
(3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79411226
[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 134374890
[(3S)-1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 159366004
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 60540053
2-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121178856
(3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 92865667
[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62370440

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol (CID 62372226) is [1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol is O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(CO)C1.
What is the InChIKey of [1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol?
The InChIKey is AGVLUJKYDOTYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO3S/c12-10-5-9(1-2-11(10)13)18(16,17)14-4-3-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2.
What are the key properties of [1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol?
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol has a molecular weight of 293.75 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 62372226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).