1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide

C10H13N3O4S — CID 168717451

IUPAC1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1ccncc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C10H13N3O4S/c1-17-9-2-3-12-5-8(9)13-6-7(4-10(13)14)18(11,15)16/h2-3,5,7H,4,6H2,1H3,(H2,11,15,16)
InChIKeySRUOMNWCHXHTOF-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.52
Rot. Bonds3

About 1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide

1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717451) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717451
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1ccncc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C10H13N3O4S/c1-17-9-2-3-12-5-8(9)13-6-7(4-10(13)14)18(11,15)16/h2-3,5,7H,4,6H2,1H3,(H2,11,15,16)
InChIKeySRUOMNWCHXHTOF-UHFFFAOYSA-N
XLogP-0.52
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711528
[1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681206
4-amino-1-(4-methoxy-3-pyridinyl)pyrrolidin-2-one
CID 168699582
1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717427
1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717594
1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717376
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717358
1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717626
1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717383
1-(4-bromo-5-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717353
1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717379

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717451) is 1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide is COc1ccncc1N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is SRUOMNWCHXHTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-17-9-2-3-12-5-8(9)13-6-7(4-10(13)14)18(11,15)16/h2-3,5,7H,4,6H2,1H3,(H2,11,15,16).
What are the key properties of 1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 271.30 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).