(3S)-1-(2-amino-6-fluorophenyl)sulfonylpyrrolidin-3-ol

C10H13FN2O3S — CID 94895335

IUPAC(3S)-1-(2-amino-6-fluorophenyl)sulfonylpyrrolidin-3-ol
SMILESNc1cccc(F)c1S(=O)(=O)N1CC[C@H](O)C1
InChIInChI=1S/C10H13FN2O3S/c11-8-2-1-3-9(12)10(8)17(15,16)13-5-4-7(14)6-13/h1-3,7,14H,4-6,12H2/t7-/m0/s1
InChIKeyYRAZUXDYEMRVOZ-ZETCQYMHSA-N
MW260.29 g/mol
LogP0.16
Rot. Bonds2

About (3S)-1-(2-amino-6-fluorophenyl)sulfonylpyrrolidin-3-ol

(3S)-1-(2-amino-6-fluorophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 94895335) has the molecular formula C10H13FN2O3S and a molecular weight of 260.29 g/mol. Its IUPAC name is (3S)-1-(2-amino-6-fluorophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2-amino-6-fluorophenyl)sulfonylpyrrolidin-3-ol
PubChem CID94895335
Molecular FormulaC10H13FN2O3S
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC Name(3S)-1-(2-amino-6-fluorophenyl)sulfonylpyrrolidin-3-ol
SMILESNc1cccc(F)c1S(=O)(=O)N1CC[C@H](O)C1
InChIInChI=1S/C10H13FN2O3S/c11-8-2-1-3-9(12)10(8)17(15,16)13-5-4-7(14)6-13/h1-3,7,14H,4-6,12H2/t7-/m0/s1
InChIKeyYRAZUXDYEMRVOZ-ZETCQYMHSA-N
XLogP0.16
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S)-1-(2-amino-6-fluorophenyl)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

1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 62917651
(3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol
CID 107212018
3-fluoro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylaniline
CID 63168396
(3S)-1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
CID 97415192
2-(4-tert-butylpiperidin-1-yl)sulfonyl-3-fluoroaniline
CID 62090364
1-(2-amino-6-fluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
CID 107212606
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993401
(3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 94895330
1-(3-aminophenyl)sulfonylpyrrolidin-3-ol
CID 62917852
2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744958
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol
CID 79031400
1-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 62918182

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-amino-6-fluorophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-(2-amino-6-fluorophenyl)sulfonylpyrrolidin-3-ol (CID 94895335) is (3S)-1-(2-amino-6-fluorophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(2-amino-6-fluorophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(2-amino-6-fluorophenyl)sulfonylpyrrolidin-3-ol is Nc1cccc(F)c1S(=O)(=O)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-(2-amino-6-fluorophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is YRAZUXDYEMRVOZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13FN2O3S/c11-8-2-1-3-9(12)10(8)17(15,16)13-5-4-7(14)6-13/h1-3,7,14H,4-6,12H2/t7-/m0/s1.
What are the key properties of (3S)-1-(2-amino-6-fluorophenyl)sulfonylpyrrolidin-3-ol?
(3S)-1-(2-amino-6-fluorophenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 260.29 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-amino-6-fluorophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 94895335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).