(3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol

C11H11ClF3NO3S — CID 79031548

IUPAC(3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@H](O)C1
InChIInChI=1S/C11H11ClF3NO3S/c12-7-1-2-10(9(5-7)11(13,14)15)20(18,19)16-4-3-8(17)6-16/h1-2,5,8,17H,3-4,6H2/t8-/m0/s1
InChIKeyCXOXIJXZJQPRCS-QMMMGPOBSA-N
MW329.73 g/mol
LogP2.11
Rot. Bonds2

About (3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol

(3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol (PubChem CID 79031548) has the molecular formula C11H11ClF3NO3S and a molecular weight of 329.73 g/mol. Its IUPAC name is (3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol
PubChem CID79031548
Molecular FormulaC11H11ClF3NO3S
Molecular Weight329.73 g/mol
Exact Mass329.01
IUPAC Name(3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@H](O)C1
InChIInChI=1S/C11H11ClF3NO3S/c12-7-1-2-10(9(5-7)11(13,14)15)20(18,19)16-4-3-8(17)6-16/h1-2,5,8,17H,3-4,6H2/t8-/m0/s1
InChIKeyCXOXIJXZJQPRCS-QMMMGPOBSA-N
XLogP2.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.73
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394334
1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 77144746
(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 98008354
(3R)-1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291641
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918645
(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 66291100
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
CID 119982070
N-[[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990512
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol
CID 79031400
1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol
CID 43394316
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 119961697
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394304

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol (CID 79031548) is (3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol is O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol?
The InChIKey is CXOXIJXZJQPRCS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11ClF3NO3S/c12-7-1-2-10(9(5-7)11(13,14)15)20(18,19)16-4-3-8(17)6-16/h1-2,5,8,17H,3-4,6H2/t8-/m0/s1.
What are the key properties of (3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol?
(3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol has a molecular weight of 329.73 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 79031548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).