1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide

C9H10ClN3O4S — CID 168718581

IUPAC1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ncc(Cl)cc2O)C1
InChIInChI=1S/C9H10ClN3O4S/c10-5-1-7(14)9(12-3-5)13-4-6(2-8(13)15)18(11,16)17/h1,3,6,14H,2,4H2,(H2,11,16,17)
InChIKeyUINMKOPLRHKMQS-UHFFFAOYSA-N
MW291.72 g/mol
LogP-0.17
Rot. Bonds2

About 1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide

1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718581) has the molecular formula C9H10ClN3O4S and a molecular weight of 291.72 g/mol. Its IUPAC name is 1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718581
Molecular FormulaC9H10ClN3O4S
Molecular Weight291.72 g/mol
Exact Mass291.01
IUPAC Name1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ncc(Cl)cc2O)C1
InChIInChI=1S/C9H10ClN3O4S/c10-5-1-7(14)9(12-3-5)13-4-6(2-8(13)15)18(11,16)17/h1,3,6,14H,2,4H2,(H2,11,16,17)
InChIKeyUINMKOPLRHKMQS-UHFFFAOYSA-N
XLogP-0.17
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.72
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715947
1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719093
1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719034
1-(5-bromo-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719055
1-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718496
1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717468
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282
1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719062
1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718689
1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719105
1-(2-chloro-5-nitropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719060

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide (CID 168718581) is 1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2ncc(Cl)cc2O)C1.
What is the InChIKey of 1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is UINMKOPLRHKMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O4S/c10-5-1-7(14)9(12-3-5)13-4-6(2-8(13)15)18(11,16)17/h1,3,6,14H,2,4H2,(H2,11,16,17).
What are the key properties of 1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 291.72 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).