(2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine

C11H14ClNO2S — CID 51694759

IUPAC(2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)N1CCC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2S/c1-16(14,15)13-8-2-3-11(13)9-4-6-10(12)7-5-9/h4-7,11H,2-3,8H2,1H3/t11-/m0/s1
InChIKeyLUYOMKADQZRQPY-NSHDSACASA-N
MW259.76 g/mol
LogP2.44
Rot. Bonds2

About (2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine

(2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine (PubChem CID 51694759) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine
PubChem CID51694759
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name(2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)N1CCC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2S/c1-16(14,15)13-8-2-3-11(13)9-4-6-10(12)7-5-9/h4-7,11H,2-3,8H2,1H3/t11-/m0/s1
InChIKeyLUYOMKADQZRQPY-NSHDSACASA-N
XLogP2.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
CID 53003266
(2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
CID 51856609
1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine
CID 24511415
(2S)-2-(3-methylphenyl)-1-methylsulfonylpyrrolidine
CID 51694768
(2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine
CID 51694778
N,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine
CID 95729302
(2R)-2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine
CID 35391559
(2S)-2-(4-chlorophenyl)-1-(2,5-dimethylphenyl)sulfonylazepane
CID 95079074
4-[2-(4-chlorophenyl)azepan-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 53096247
(2R)-2-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylazepane
CID 95079108
2-(3,4-dichlorophenyl)-1-ethylsulfonylpyrrolidine
CID 61356195
(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine
CID 95770649

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine?
The IUPAC name of (2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine (CID 51694759) is (2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine is CS(=O)(=O)N1CCC[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine?
The InChIKey is LUYOMKADQZRQPY-NSHDSACASA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-16(14,15)13-8-2-3-11(13)9-4-6-10(12)7-5-9/h4-7,11H,2-3,8H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine?
(2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine has a molecular weight of 259.76 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 51694759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).