6-amino-3-chloro-2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonylphenol

C10H12ClFN2O3S — CID 118540658

IUPAC6-amino-3-chloro-2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonylphenol
SMILESNc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](F)C2)c1O
InChIInChI=1S/C10H12ClFN2O3S/c11-7-1-2-8(13)9(15)10(7)18(16,17)14-4-3-6(12)5-14/h1-2,6,15H,3-5,13H2/t6-/m1/s1
InChIKeyFLHNDOUHGUIRQN-ZCFIWIBFSA-N
MW294.74 g/mol
LogP1.36
Rot. Bonds2

About 6-amino-3-chloro-2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonylphenol

6-amino-3-chloro-2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonylphenol (PubChem CID 118540658) has the molecular formula C10H12ClFN2O3S and a molecular weight of 294.74 g/mol. Its IUPAC name is 6-amino-3-chloro-2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonylphenol.

Molecular Properties

Compound Name6-amino-3-chloro-2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonylphenol
PubChem CID118540658
Molecular FormulaC10H12ClFN2O3S
Molecular Weight294.74 g/mol
Exact Mass294.02
IUPAC Name6-amino-3-chloro-2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonylphenol
SMILESNc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](F)C2)c1O
InChIInChI=1S/C10H12ClFN2O3S/c11-7-1-2-8(13)9(15)10(7)18(16,17)14-4-3-6(12)5-14/h1-2,6,15H,3-5,13H2/t6-/m1/s1
InChIKeyFLHNDOUHGUIRQN-ZCFIWIBFSA-N
XLogP1.36
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonylphenol?
The IUPAC name of 6-amino-3-chloro-2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonylphenol (CID 118540658) is 6-amino-3-chloro-2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonylphenol.
What is the SMILES notation for 6-amino-3-chloro-2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonylphenol?
The canonical SMILES for 6-amino-3-chloro-2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonylphenol is Nc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](F)C2)c1O.
What is the InChIKey of 6-amino-3-chloro-2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonylphenol?
The InChIKey is FLHNDOUHGUIRQN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12ClFN2O3S/c11-7-1-2-8(13)9(15)10(7)18(16,17)14-4-3-6(12)5-14/h1-2,6,15H,3-5,13H2/t6-/m1/s1.
What are the key properties of 6-amino-3-chloro-2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonylphenol?
6-amino-3-chloro-2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonylphenol has a molecular weight of 294.74 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonylphenol is sourced from PubChem (CID 118540658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).