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

C16H17N3O4S — CID 16822419

IUPACN-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide
SMILESCOc1cccc(N2CC(NS(=O)(=O)c3cccnc3)CC2=O)c1
InChIInChI=1S/C16H17N3O4S/c1-23-14-5-2-4-13(9-14)19-11-12(8-16(19)20)18-24(21,22)15-6-3-7-17-10-15/h2-7,9-10,12,18H,8,11H2,1H3
InChIKeyVJZDWLKPVUWGNN-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.17
Rot. Bonds5

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

N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide (PubChem CID 16822419) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide
PubChem CID16822419
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide
SMILESCOc1cccc(N2CC(NS(=O)(=O)c3cccnc3)CC2=O)c1
InChIInChI=1S/C16H17N3O4S/c1-23-14-5-2-4-13(9-14)19-11-12(8-16(19)20)18-24(21,22)15-6-3-7-17-10-15/h2-7,9-10,12,18H,8,11H2,1H3
InChIKeyVJZDWLKPVUWGNN-UHFFFAOYSA-N
XLogP1.17
TPSA88.60 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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2983927
2-(4-Ethoxy-benzenesulfonylamino)-N-pyridin-2-ylmethyl-propionamide
CID 6493067
N~2~-(3-methoxyphenyl)-N~2~-(methylsulfonyl)-N~1~-(3-pyridinylmethyl)glycinamide
CID 815951
2-[Methanesulfonyl-(3-methoxy-phenyl)-amino]-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-acetamide
CID 3144121
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 3144151
N-cyclohexyl-2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetamide
CID 5309700
(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[2-methylpropanoyl(pyridin-3-ylmethyl)amino]pyrrolidine-2-carboxamide
CID 10766950
N1-((1-((4-methoxyphenyl)sulfonyl)pyrrolidin-2-yl)methyl)-N2-(pyridin-2-ylmethyl)oxalamide
CID 16829931
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 2987071
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 6486950
N-(6-methoxypyridin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 1503614
1-((4-methoxyphenyl)sulfonyl)-N-(3-oxo-3-((pyridin-2-ylmethyl)amino)propyl)piperidine-4-carboxamide
CID 16414770

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide (CID 16822419) is N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide is COc1cccc(N2CC(NS(=O)(=O)c3cccnc3)CC2=O)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide?
The InChIKey is VJZDWLKPVUWGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-23-14-5-2-4-13(9-14)19-11-12(8-16(19)20)18-24(21,22)15-6-3-7-17-10-15/h2-7,9-10,12,18H,8,11H2,1H3.
What are the key properties of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide?
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 16822419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).