(3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol

C10H13FN2O3S — CID 94895330

IUPAC(3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol
SMILESNc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C10H13FN2O3S/c11-7-1-2-9(12)10(5-7)17(15,16)13-4-3-8(14)6-13/h1-2,5,8,14H,3-4,6,12H2/t8-/m1/s1
InChIKeyVJRVSYDHVRUUBZ-MRVPVSSYSA-N
MW260.29 g/mol
LogP0.16
Rot. Bonds2

About (3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol

(3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 94895330) has the molecular formula C10H13FN2O3S and a molecular weight of 260.29 g/mol. Its IUPAC name is (3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol
PubChem CID94895330
Molecular FormulaC10H13FN2O3S
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC Name(3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol
SMILESNc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C10H13FN2O3S/c11-7-1-2-9(12)10(5-7)17(15,16)13-4-3-8(14)6-13/h1-2,5,8,14H,3-4,6,12H2/t8-/m1/s1
InChIKeyVJRVSYDHVRUUBZ-MRVPVSSYSA-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'}

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Related Compounds

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1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
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1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 103051379
1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 65020834
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-fluoroaniline
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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol (CID 94895330) is (3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol is Nc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is VJRVSYDHVRUUBZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13FN2O3S/c11-7-1-2-9(12)10(5-7)17(15,16)13-4-3-8(14)6-13/h1-2,5,8,14H,3-4,6,12H2/t8-/m1/s1.
What are the key properties of (3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol?
(3R)-1-(2-amino-5-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 (3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 94895330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).