[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C10H11Cl2N3O3S — CID 168683033

IUPAC[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2cc(Cl)nc(Cl)c2)C1
InChIInChI=1S/C10H11Cl2N3O3S/c11-8-2-7(3-9(12)14-8)15-4-6(1-10(15)16)5-19(13,17)18/h2-3,6H,1,4-5H2,(H2,13,17,18)
InChIKeyDPKZKKYKLARLQH-UHFFFAOYSA-N
MW324.19 g/mol
LogP1.03
Rot. Bonds3

About [1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168683033) has the molecular formula C10H11Cl2N3O3S and a molecular weight of 324.19 g/mol. Its IUPAC name is [1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168683033
Molecular FormulaC10H11Cl2N3O3S
Molecular Weight324.19 g/mol
Exact Mass322.99
IUPAC Name[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2cc(Cl)nc(Cl)c2)C1
InChIInChI=1S/C10H11Cl2N3O3S/c11-8-2-7(3-9(12)14-8)15-4-6(1-10(15)16)5-19(13,17)18/h2-3,6H,1,4-5H2,(H2,13,17,18)
InChIKeyDPKZKKYKLARLQH-UHFFFAOYSA-N
XLogP1.03
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[1-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682499
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[1-(5-chloro-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683032
[5-oxo-1-(4-sulfanylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682592
[1-(6-chloro-2-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681533
[1-(3,4-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682505
[1-[3-amino-5-(hydroxymethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683014
[1-(1H-indazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682542
1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703824
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681795
[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682417

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168683033) is [1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2cc(Cl)nc(Cl)c2)C1.
What is the InChIKey of [1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is DPKZKKYKLARLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O3S/c11-8-2-7(3-9(12)14-8)15-4-6(1-10(15)16)5-19(13,17)18/h2-3,6H,1,4-5H2,(H2,13,17,18).
What are the key properties of [1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 324.19 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168683033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).