1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol

C11H13BrFNO3S — CID 103871460

IUPAC1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)c2ccc(F)cc2Br)C1
InChIInChI=1S/C11H13BrFNO3S/c1-11(15)4-5-14(7-11)18(16,17)10-3-2-8(13)6-9(10)12/h2-3,6,15H,4-5,7H2,1H3
InChIKeyGJALUBMHLJNWKN-UHFFFAOYSA-N
MW338.20 g/mol
LogP1.73
Rot. Bonds2

About 1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol

1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol (PubChem CID 103871460) has the molecular formula C11H13BrFNO3S and a molecular weight of 338.20 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol
PubChem CID103871460
Molecular FormulaC11H13BrFNO3S
Molecular Weight338.20 g/mol
Exact Mass336.98
IUPAC Name1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)c2ccc(F)cc2Br)C1
InChIInChI=1S/C11H13BrFNO3S/c1-11(15)4-5-14(7-11)18(16,17)10-3-2-8(13)6-9(10)12/h2-3,6,15H,4-5,7H2,1H3
InChIKeyGJALUBMHLJNWKN-UHFFFAOYSA-N
XLogP1.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dibromophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871444
1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103524
1-(2-chloro-4-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol
CID 115872362
1-(2-bromo-4-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 62924342
1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871361
1-(2-chloro-5-fluorophenyl)sulfonyl-3-methylazetidin-3-ol
CID 105400409
1-(2-bromo-4-fluorophenyl)sulfonyl-5-methyl-3,6-dihydro-2H-pyridine
CID 114172671
1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 110738659
(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine
CID 93302829
(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 104975070
[1-(4-fluoro-2-methylphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777543
1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 55030126

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol (CID 103871460) is 1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol is CC1(O)CCN(S(=O)(=O)c2ccc(F)cc2Br)C1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol?
The InChIKey is GJALUBMHLJNWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO3S/c1-11(15)4-5-14(7-11)18(16,17)10-3-2-8(13)6-9(10)12/h2-3,6,15H,4-5,7H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol?
1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol has a molecular weight of 338.20 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103871460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).