5-bromo-3-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]sulfonylpyridin-2-amine

C14H15BrN4O3S — CID 99578182

IUPAC5-bromo-3-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]sulfonylpyridin-2-amine
SMILESNc1ncc(Br)cc1S(=O)(=O)N1CC[C@@H](Oc2ccncc2)C1
InChIInChI=1S/C14H15BrN4O3S/c15-10-7-13(14(16)18-8-10)23(20,21)19-6-3-12(9-19)22-11-1-4-17-5-2-11/h1-2,4-5,7-8,12H,3,6,9H2,(H2,16,18)/t12-/m1/s1
InChIKeyUETJDASUCUEEFY-GFCCVEGCSA-N
MW399.27 g/mol
LogP1.66
Rot. Bonds4

About 5-bromo-3-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]sulfonylpyridin-2-amine

5-bromo-3-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]sulfonylpyridin-2-amine (PubChem CID 99578182) has the molecular formula C14H15BrN4O3S and a molecular weight of 399.27 g/mol. Its IUPAC name is 5-bromo-3-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]sulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]sulfonylpyridin-2-amine
PubChem CID99578182
Molecular FormulaC14H15BrN4O3S
Molecular Weight399.27 g/mol
Exact Mass398.00
IUPAC Name5-bromo-3-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]sulfonylpyridin-2-amine
SMILESNc1ncc(Br)cc1S(=O)(=O)N1CC[C@@H](Oc2ccncc2)C1
InChIInChI=1S/C14H15BrN4O3S/c15-10-7-13(14(16)18-8-10)23(20,21)19-6-3-12(9-19)22-11-1-4-17-5-2-11/h1-2,4-5,7-8,12H,3,6,9H2,(H2,16,18)/t12-/m1/s1
InChIKeyUETJDASUCUEEFY-GFCCVEGCSA-N
XLogP1.66
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]sulfonylpyridin-2-amine?
The IUPAC name of 5-bromo-3-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]sulfonylpyridin-2-amine (CID 99578182) is 5-bromo-3-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]sulfonylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]sulfonylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]sulfonylpyridin-2-amine is Nc1ncc(Br)cc1S(=O)(=O)N1CC[C@@H](Oc2ccncc2)C1.
What is the InChIKey of 5-bromo-3-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]sulfonylpyridin-2-amine?
The InChIKey is UETJDASUCUEEFY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15BrN4O3S/c15-10-7-13(14(16)18-8-10)23(20,21)19-6-3-12(9-19)22-11-1-4-17-5-2-11/h1-2,4-5,7-8,12H,3,6,9H2,(H2,16,18)/t12-/m1/s1.
What are the key properties of 5-bromo-3-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]sulfonylpyridin-2-amine?
5-bromo-3-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]sulfonylpyridin-2-amine has a molecular weight of 399.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]sulfonylpyridin-2-amine is sourced from PubChem (CID 99578182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).