2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine

C11H14BrNO2S — CID 117489419

IUPAC2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine
SMILESCS(=O)(=O)c1ccc(Br)cc1C1CCCN1
InChIInChI=1S/C11H14BrNO2S/c1-16(14,15)11-5-4-8(12)7-9(11)10-3-2-6-13-10/h4-5,7,10,13H,2-3,6H2,1H3
InChIKeyKDAWFVRPPGGXQN-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.28
Rot. Bonds2

About 2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine

2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine (PubChem CID 117489419) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine
PubChem CID117489419
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine
SMILESCS(=O)(=O)c1ccc(Br)cc1C1CCCN1
InChIInChI=1S/C11H14BrNO2S/c1-16(14,15)11-5-4-8(12)7-9(11)10-3-2-6-13-10/h4-5,7,10,13H,2-3,6H2,1H3
InChIKeyKDAWFVRPPGGXQN-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,5-dibromophenyl)pyrrolidine
CID 131190573
(2S)-2-(2,4-dibromophenyl)pyrrolidine
CID 130706941
2-(4-methyl-2-methylsulfonylphenyl)piperidine
CID 117386781
(2R)-2-(5-bromo-2-chlorophenyl)piperidine
CID 130632446
4-bromo-2-piperidin-2-ylphenol
CID 82623427
(2R)-2-(4-bromo-2-chlorophenyl)pyrrolidine;hydrochloride
CID 171195907
2-(3-methoxy-4-methylsulfonylphenyl)pyrrolidine
CID 117391561
2-(2,3-dimethoxy-4-methylsulfonylphenyl)piperidine
CID 117482426
2-(3-methylsulfanyl-4-methylsulfonylphenyl)pyrrolidine
CID 117431655
2-(2-chloro-5-methylsulfonylphenyl)pyrrolidine
CID 117403692
2-(2,4-dibromophenyl)azepane
CID 107938538
2-methylsulfonyl-5-piperidin-2-ylphenol
CID 117391593

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine?
The IUPAC name of 2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine (CID 117489419) is 2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine.
What is the SMILES notation for 2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine?
The canonical SMILES for 2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine is CS(=O)(=O)c1ccc(Br)cc1C1CCCN1.
What is the InChIKey of 2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine?
The InChIKey is KDAWFVRPPGGXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-16(14,15)11-5-4-8(12)7-9(11)10-3-2-6-13-10/h4-5,7,10,13H,2-3,6H2,1H3.
What are the key properties of 2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine?
2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine has a molecular weight of 304.21 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine is sourced from PubChem (CID 117489419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).