(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol

C10H10F3NO3S — CID 79031400

IUPAC(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(F)c(F)c1F)N1CC[C@H](O)C1
InChIInChI=1S/C10H10F3NO3S/c11-7-1-2-8(10(13)9(7)12)18(16,17)14-4-3-6(15)5-14/h1-2,6,15H,3-5H2/t6-/m0/s1
InChIKeyVXXDFIMSQKQKQW-LURJTMIESA-N
MW281.25 g/mol
LogP0.86
Rot. Bonds2

About (3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol

(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 79031400) has the molecular formula C10H10F3NO3S and a molecular weight of 281.25 g/mol. Its IUPAC name is (3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol
PubChem CID79031400
Molecular FormulaC10H10F3NO3S
Molecular Weight281.25 g/mol
Exact Mass281.03
IUPAC Name(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(F)c(F)c1F)N1CC[C@H](O)C1
InChIInChI=1S/C10H10F3NO3S/c11-7-1-2-8(10(13)9(7)12)18(16,17)14-4-3-6(15)5-14/h1-2,6,15H,3-5H2/t6-/m0/s1
InChIKeyVXXDFIMSQKQKQW-LURJTMIESA-N
XLogP0.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-3-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid
CID 107215129
2,6-difluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid
CID 107215059
(3S,4S)-4-hydroxy-1-(2,3,4-trifluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 135100519
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120712583
(4aS,8aS)-2-(2,3,4-trifluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926596
(3R)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 103088611
N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120706957
1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 43556384
[4-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-yl]methanamine
CID 114960919
2,6-difluoro-3-(3-hydroxypiperidin-1-yl)sulfonylbenzoic acid
CID 43503059
1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 77144746
(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 98008354

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol (CID 79031400) is (3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol is O=S(=O)(c1ccc(F)c(F)c1F)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is VXXDFIMSQKQKQW-LURJTMIESA-N. The full InChI is InChI=1S/C10H10F3NO3S/c11-7-1-2-8(10(13)9(7)12)18(16,17)14-4-3-6(15)5-14/h1-2,6,15H,3-5H2/t6-/m0/s1.
What are the key properties of (3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol?
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 281.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 79031400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).