N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide

C17H19N3O4S — CID 16822434

IUPACN-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide
SMILESCCOc1ccc(N2CC(NS(=O)(=O)c3cccnc3)CC2=O)cc1
InChIInChI=1S/C17H19N3O4S/c1-2-24-15-7-5-14(6-8-15)20-12-13(10-17(20)21)19-25(22,23)16-4-3-9-18-11-16/h3-9,11,13,19H,2,10,12H2,1H3
InChIKeyMYLGNNRHFONKTR-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.56
Rot. Bonds6

About N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide

N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide (PubChem CID 16822434) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide
PubChem CID16822434
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide
SMILESCCOc1ccc(N2CC(NS(=O)(=O)c3cccnc3)CC2=O)cc1
InChIInChI=1S/C17H19N3O4S/c1-2-24-15-7-5-14(6-8-15)20-12-13(10-17(20)21)19-25(22,23)16-4-3-9-18-11-16/h3-9,11,13,19H,2,10,12H2,1H3
InChIKeyMYLGNNRHFONKTR-UHFFFAOYSA-N
XLogP1.56
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide (CID 16822434) is N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide is CCOc1ccc(N2CC(NS(=O)(=O)c3cccnc3)CC2=O)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide?
The InChIKey is MYLGNNRHFONKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-2-24-15-7-5-14(6-8-15)20-12-13(10-17(20)21)19-25(22,23)16-4-3-9-18-11-16/h3-9,11,13,19H,2,10,12H2,1H3.
What are the key properties of N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide?
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide has a molecular weight of 361.42 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 16822434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).