(3R)-1-[3-bromo-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol

C11H11BrF3NO3S — CID 121414220

IUPAC(3R)-1-[3-bromo-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1cc(Br)cc(C(F)(F)F)c1)N1CC[C@@H](O)C1
InChIInChI=1S/C11H11BrF3NO3S/c12-8-3-7(11(13,14)15)4-10(5-8)20(18,19)16-2-1-9(17)6-16/h3-5,9,17H,1-2,6H2/t9-/m1/s1
InChIKeyDBEIQXBBGDSFAW-SECBINFHSA-N
MW374.18 g/mol
LogP2.22
Rot. Bonds2

About (3R)-1-[3-bromo-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol

(3R)-1-[3-bromo-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol (PubChem CID 121414220) has the molecular formula C11H11BrF3NO3S and a molecular weight of 374.18 g/mol. Its IUPAC name is (3R)-1-[3-bromo-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[3-bromo-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol
PubChem CID121414220
Molecular FormulaC11H11BrF3NO3S
Molecular Weight374.18 g/mol
Exact Mass372.96
IUPAC Name(3R)-1-[3-bromo-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1cc(Br)cc(C(F)(F)F)c1)N1CC[C@@H](O)C1
InChIInChI=1S/C11H11BrF3NO3S/c12-8-3-7(11(13,14)15)4-10(5-8)20(18,19)16-2-1-9(17)6-16/h3-5,9,17H,1-2,6H2/t9-/m1/s1
InChIKeyDBEIQXBBGDSFAW-SECBINFHSA-N
XLogP2.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine
CID 68630923
4-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-(trifluoromethyl)benzoic acid
CID 167954773
4-(3-hydroxypyrrolidin-1-yl)sulfonyl-2-(trifluoromethyl)benzoic acid
CID 167755952
(3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol
CID 79031548
N-[1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 4669272
(3S)-1-(2-amino-5-bromophenyl)sulfonylpyrrolidin-3-ol
CID 107212123
1-(4-iodophenyl)sulfonylpyrrolidin-3-ol
CID 62918644
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039
1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258512
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
(3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol
CID 82854595
3-(3-bromo-5-methylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120711797

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-bromo-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-[3-bromo-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol (CID 121414220) is (3R)-1-[3-bromo-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[3-bromo-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[3-bromo-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol is O=S(=O)(c1cc(Br)cc(C(F)(F)F)c1)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[3-bromo-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol?
The InChIKey is DBEIQXBBGDSFAW-SECBINFHSA-N. The full InChI is InChI=1S/C11H11BrF3NO3S/c12-8-3-7(11(13,14)15)4-10(5-8)20(18,19)16-2-1-9(17)6-16/h3-5,9,17H,1-2,6H2/t9-/m1/s1.
What are the key properties of (3R)-1-[3-bromo-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol?
(3R)-1-[3-bromo-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol has a molecular weight of 374.18 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-bromo-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 121414220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).