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

C10H10Cl2N4O4S — CID 168683290

IUPAC[1-(4,6-dichloro-5-formylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2nc(Cl)c(C=O)c(Cl)n2)C1
InChIInChI=1S/C10H10Cl2N4O4S/c11-8-6(3-17)9(12)15-10(14-8)16-2-5(1-7(16)18)4-21(13,19)20/h3,5H,1-2,4H2,(H2,13,19,20)
InChIKeyLNHIHOMLRSLYAJ-UHFFFAOYSA-N
MW353.19 g/mol
LogP0.24
Rot. Bonds4

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

[1-(4,6-dichloro-5-formylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168683290) has the molecular formula C10H10Cl2N4O4S and a molecular weight of 353.19 g/mol. Its IUPAC name is [1-(4,6-dichloro-5-formylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(4,6-dichloro-5-formylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168683290
Molecular FormulaC10H10Cl2N4O4S
Molecular Weight353.19 g/mol
Exact Mass351.98
IUPAC Name[1-(4,6-dichloro-5-formylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2nc(Cl)c(C=O)c(Cl)n2)C1
InChIInChI=1S/C10H10Cl2N4O4S/c11-8-6(3-17)9(12)15-10(14-8)16-2-5(1-7(16)18)4-21(13,19)20/h3,5H,1-2,4H2,(H2,13,19,20)
InChIKeyLNHIHOMLRSLYAJ-UHFFFAOYSA-N
XLogP0.24
TPSA123.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[1-(4,6-diamino-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683300
[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683033
[1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681788
[1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681741
[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681706
[1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683303
[1-(5-chloro-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683032
[1-(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681301
[1-(6-chloro-2-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681533
1-(5-bromo-4,6-dichloropyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671847
[1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677345
[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682417

Frequently Asked Questions

What is the IUPAC name of [1-(4,6-dichloro-5-formylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(4,6-dichloro-5-formylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168683290) is [1-(4,6-dichloro-5-formylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(4,6-dichloro-5-formylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(4,6-dichloro-5-formylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2nc(Cl)c(C=O)c(Cl)n2)C1.
What is the InChIKey of [1-(4,6-dichloro-5-formylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is LNHIHOMLRSLYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O4S/c11-8-6(3-17)9(12)15-10(14-8)16-2-5(1-7(16)18)4-21(13,19)20/h3,5H,1-2,4H2,(H2,13,19,20).
What are the key properties of [1-(4,6-dichloro-5-formylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(4,6-dichloro-5-formylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 353.19 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,6-dichloro-5-formylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168683290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).