2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine

C11H13ClFNO2S — CID 117445175

IUPAC2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine
SMILESCS(=O)(=O)c1c(F)cc(C2CCCN2)cc1Cl
InChIInChI=1S/C11H13ClFNO2S/c1-17(15,16)11-8(12)5-7(6-9(11)13)10-3-2-4-14-10/h5-6,10,14H,2-4H2,1H3
InChIKeyNUMOGXWHYLWTBH-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.31
Rot. Bonds2

About 2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine

2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine (PubChem CID 117445175) has the molecular formula C11H13ClFNO2S and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine
PubChem CID117445175
Molecular FormulaC11H13ClFNO2S
Molecular Weight277.75 g/mol
Exact Mass277.03
IUPAC Name2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine
SMILESCS(=O)(=O)c1c(F)cc(C2CCCN2)cc1Cl
InChIInChI=1S/C11H13ClFNO2S/c1-17(15,16)11-8(12)5-7(6-9(11)13)10-3-2-4-14-10/h5-6,10,14H,2-4H2,1H3
InChIKeyNUMOGXWHYLWTBH-UHFFFAOYSA-N
XLogP2.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine
CID 117471203
2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)piperidine
CID 117463655
(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine
CID 131358748
(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)piperidine
CID 171195734
2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 130664608
2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 117356620
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine
CID 170256865
(2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine
CID 66518568
2-(3-bromo-4,5-difluorophenyl)pyrrolidine
CID 117409353
2-(2-chloro-5-methylsulfonylphenyl)pyrrolidine
CID 117403692
3-chloro-2-methyl-5-piperidin-2-ylphenol
CID 84790686

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine?
The IUPAC name of 2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine (CID 117445175) is 2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine.
What is the SMILES notation for 2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine?
The canonical SMILES for 2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine is CS(=O)(=O)c1c(F)cc(C2CCCN2)cc1Cl.
What is the InChIKey of 2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine?
The InChIKey is NUMOGXWHYLWTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2S/c1-17(15,16)11-8(12)5-7(6-9(11)13)10-3-2-4-14-10/h5-6,10,14H,2-4H2,1H3.
What are the key properties of 2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine?
2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine has a molecular weight of 277.75 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine is sourced from PubChem (CID 117445175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).