1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide

C9H11ClN4O3S — CID 168717979

IUPAC1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1cc(N2CC(S(N)(=O)=O)CC2=O)nc(Cl)n1
InChIInChI=1S/C9H11ClN4O3S/c1-5-2-7(13-9(10)12-5)14-4-6(3-8(14)15)18(11,16)17/h2,6H,3-4H2,1H3,(H2,11,16,17)
InChIKeyWRSIYLDRLYHQEH-UHFFFAOYSA-N
MW290.73 g/mol
LogP-0.17
Rot. Bonds2

About 1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide

1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717979) has the molecular formula C9H11ClN4O3S and a molecular weight of 290.73 g/mol. Its IUPAC name is 1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717979
Molecular FormulaC9H11ClN4O3S
Molecular Weight290.73 g/mol
Exact Mass290.02
IUPAC Name1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1cc(N2CC(S(N)(=O)=O)CC2=O)nc(Cl)n1
InChIInChI=1S/C9H11ClN4O3S/c1-5-2-7(13-9(10)12-5)14-4-6(3-8(14)15)18(11,16)17/h2,6H,3-4H2,1H3,(H2,11,16,17)
InChIKeyWRSIYLDRLYHQEH-UHFFFAOYSA-N
XLogP-0.17
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717981
4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one
CID 168688384
1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one
CID 168709142
1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697064
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717881
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717575
1-(6-chloro-2-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717778
1-(5-iodo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717618
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719034
S-[[1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667409

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide (CID 168717979) is 1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide is Cc1cc(N2CC(S(N)(=O)=O)CC2=O)nc(Cl)n1.
What is the InChIKey of 1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is WRSIYLDRLYHQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O3S/c1-5-2-7(13-9(10)12-5)14-4-6(3-8(14)15)18(11,16)17/h2,6H,3-4H2,1H3,(H2,11,16,17).
What are the key properties of 1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide?
1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 290.73 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).