[5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonamide

C16H17N3O4S — CID 168683185

IUPAC[5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2cccc(Oc3ccccn3)c2)C1
InChIInChI=1S/C16H17N3O4S/c17-24(21,22)11-12-8-16(20)19(10-12)13-4-3-5-14(9-13)23-15-6-1-2-7-18-15/h1-7,9,12H,8,10-11H2,(H2,17,21,22)
InChIKeyADGKAWWHXQFQHG-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.52
Rot. Bonds5

About [5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonamide

[5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 168683185) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is [5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID168683185
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name[5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2cccc(Oc3ccccn3)c2)C1
InChIInChI=1S/C16H17N3O4S/c17-24(21,22)11-12-8-16(20)19(10-12)13-4-3-5-14(9-13)23-15-6-1-2-7-18-15/h1-7,9,12H,8,10-11H2,(H2,17,21,22)
InChIKeyADGKAWWHXQFQHG-UHFFFAOYSA-N
XLogP1.52
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonamide (CID 168683185) is [5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2cccc(Oc3ccccn3)c2)C1.
What is the InChIKey of [5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is ADGKAWWHXQFQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c17-24(21,22)11-12-8-16(20)19(10-12)13-4-3-5-14(9-13)23-15-6-1-2-7-18-15/h1-7,9,12H,8,10-11H2,(H2,17,21,22).
What are the key properties of [5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonamide?
[5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 347.40 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168683185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).