N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide

C15H14FN3O3S — CID 16822440

IUPACN-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide
SMILESO=C1CC(NS(=O)(=O)c2cccnc2)CN1c1cccc(F)c1
InChIInChI=1S/C15H14FN3O3S/c16-11-3-1-4-13(7-11)19-10-12(8-15(19)20)18-23(21,22)14-5-2-6-17-9-14/h1-7,9,12,18H,8,10H2
InChIKeyPVICBEQSVACSPG-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.30
Rot. Bonds4

About N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide

N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide (PubChem CID 16822440) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide
PubChem CID16822440
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC NameN-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide
SMILESO=C1CC(NS(=O)(=O)c2cccnc2)CN1c1cccc(F)c1
InChIInChI=1S/C15H14FN3O3S/c16-11-3-1-4-13(7-11)19-10-12(8-15(19)20)18-23(21,22)14-5-2-6-17-9-14/h1-7,9,12,18H,8,10H2
InChIKeyPVICBEQSVACSPG-UHFFFAOYSA-N
XLogP1.30
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide (CID 16822440) is N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide is O=C1CC(NS(=O)(=O)c2cccnc2)CN1c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide?
The InChIKey is PVICBEQSVACSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c16-11-3-1-4-13(7-11)19-10-12(8-15(19)20)18-23(21,22)14-5-2-6-17-9-14/h1-7,9,12,18H,8,10H2.
What are the key properties of N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide?
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide has a molecular weight of 335.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 16822440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).