[(2R)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methanol

C12H15ClFNO3S — CID 109478282

IUPAC[(2R)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methanol
SMILESO=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC[C@@H]1CO
InChIInChI=1S/C12H15ClFNO3S/c13-11-6-9(3-4-12(11)14)8-19(17,18)15-5-1-2-10(15)7-16/h3-4,6,10,16H,1-2,5,7-8H2/t10-/m1/s1
InChIKeyOXVJZMKJDCMBQS-SNVBAGLBSA-N
MW307.77 g/mol
LogP1.77
Rot. Bonds4

About [(2R)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methanol

[(2R)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methanol (PubChem CID 109478282) has the molecular formula C12H15ClFNO3S and a molecular weight of 307.77 g/mol. Its IUPAC name is [(2R)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methanol
PubChem CID109478282
Molecular FormulaC12H15ClFNO3S
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC Name[(2R)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methanol
SMILESO=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC[C@@H]1CO
InChIInChI=1S/C12H15ClFNO3S/c13-11-6-9(3-4-12(11)14)8-19(17,18)15-5-1-2-10(15)7-16/h3-4,6,10,16H,1-2,5,7-8H2/t10-/m1/s1
InChIKeyOXVJZMKJDCMBQS-SNVBAGLBSA-N
XLogP1.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(4-chloro-3-fluorophenyl)methylsulfonyl]pyrrolidine-2-carboxylic acid
CID 122069646
[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine
CID 119969410
[1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol
CID 43579017
3-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 66260603
1-[(3-chloro-4-fluorophenyl)methylsulfonyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120876989
4-[[2-(hydroxymethyl)piperidin-1-yl]sulfonylmethyl]benzenecarbothioamide
CID 61407453
(3S)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]-3-methylpiperazine;hydrochloride
CID 120875739
1-[(3,4-dichlorophenyl)methylsulfonyl]-2-methylpiperidine
CID 56513515
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 56581849
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260963
2-[2-(3-chloro-4-fluorophenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 142470240
[(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 71911370

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methanol (CID 109478282) is [(2R)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methanol is O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methanol?
The InChIKey is OXVJZMKJDCMBQS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15ClFNO3S/c13-11-6-9(3-4-12(11)14)8-19(17,18)15-5-1-2-10(15)7-16/h3-4,6,10,16H,1-2,5,7-8H2/t10-/m1/s1.
What are the key properties of [(2R)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methanol has a molecular weight of 307.77 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 109478282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).