(3R)-1-(2-bromo-6-fluorophenyl)sulfonylpyrrolidin-3-ol

C10H11BrFNO3S — CID 71967761

IUPAC(3R)-1-(2-bromo-6-fluorophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1c(F)cccc1Br)N1CC[C@@H](O)C1
InChIInChI=1S/C10H11BrFNO3S/c11-8-2-1-3-9(12)10(8)17(15,16)13-5-4-7(14)6-13/h1-3,7,14H,4-6H2/t7-/m1/s1
InChIKeyDOJCUBRVVBEUCT-SSDOTTSWSA-N
MW324.17 g/mol
LogP1.34
Rot. Bonds2

About (3R)-1-(2-bromo-6-fluorophenyl)sulfonylpyrrolidin-3-ol

(3R)-1-(2-bromo-6-fluorophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 71967761) has the molecular formula C10H11BrFNO3S and a molecular weight of 324.17 g/mol. Its IUPAC name is (3R)-1-(2-bromo-6-fluorophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(2-bromo-6-fluorophenyl)sulfonylpyrrolidin-3-ol
PubChem CID71967761
Molecular FormulaC10H11BrFNO3S
Molecular Weight324.17 g/mol
Exact Mass322.96
IUPAC Name(3R)-1-(2-bromo-6-fluorophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1c(F)cccc1Br)N1CC[C@@H](O)C1
InChIInChI=1S/C10H11BrFNO3S/c11-8-2-1-3-9(12)10(8)17(15,16)13-5-4-7(14)6-13/h1-3,7,14H,4-6H2/t7-/m1/s1
InChIKeyDOJCUBRVVBEUCT-SSDOTTSWSA-N
XLogP1.34
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((4-Bromo-2-fluorophenyl)sulfonyl)piperidin-4-ol
CID 45480002
(3S)-1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 45480003
1-(1-((2-Bromophenyl)sulfonyl)piperidin-4-yl)pyrrolidin-3-ol
CID 71809740
1-(4-Bromophenyl)sulfonylpyrrolidin-3-ol
CID 62918307
1-(2-Fluorophenyl)sulfonylpyrrolidin-3-ol
CID 6733533
2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 71683262
1-(2-Bromo-4,5-difluorophenyl)sulfonylpiperidin-4-ol
CID 58457190
1-(2-Bromo-4,5-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 58457199
2-bromo-N-ethyl-4,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 58457205
1-((3-Bromo-4-fluorophenyl)sulfonyl)piperidin-4-ol
CID 89656120
(3R)-1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 112406641
1-(4-Bromo-3-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 113985538

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-bromo-6-fluorophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-(2-bromo-6-fluorophenyl)sulfonylpyrrolidin-3-ol (CID 71967761) is (3R)-1-(2-bromo-6-fluorophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(2-bromo-6-fluorophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(2-bromo-6-fluorophenyl)sulfonylpyrrolidin-3-ol is O=S(=O)(c1c(F)cccc1Br)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-(2-bromo-6-fluorophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is DOJCUBRVVBEUCT-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11BrFNO3S/c11-8-2-1-3-9(12)10(8)17(15,16)13-5-4-7(14)6-13/h1-3,7,14H,4-6H2/t7-/m1/s1.
What are the key properties of (3R)-1-(2-bromo-6-fluorophenyl)sulfonylpyrrolidin-3-ol?
(3R)-1-(2-bromo-6-fluorophenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 324.17 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-bromo-6-fluorophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 71967761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).