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

C9H11ClN4O3S — CID 168717981

IUPAC1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1nc(Cl)cc(N2CC(S(N)(=O)=O)CC2=O)n1
InChIInChI=1S/C9H11ClN4O3S/c1-5-12-7(10)3-8(13-5)14-4-6(2-9(14)15)18(11,16)17/h3,6H,2,4H2,1H3,(H2,11,16,17)
InChIKeyFSTFTTBNHDELIV-UHFFFAOYSA-N
MW290.73 g/mol
LogP-0.17
Rot. Bonds2

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

1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717981) has the molecular formula C9H11ClN4O3S and a molecular weight of 290.73 g/mol. Its IUPAC name is 1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717981
Molecular FormulaC9H11ClN4O3S
Molecular Weight290.73 g/mol
Exact Mass290.02
IUPAC Name1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1nc(Cl)cc(N2CC(S(N)(=O)=O)CC2=O)n1
InChIInChI=1S/C9H11ClN4O3S/c1-5-12-7(10)3-8(13-5)14-4-6(2-9(14)15)18(11,16)17/h3,6H,2,4H2,1H3,(H2,11,16,17)
InChIKeyFSTFTTBNHDELIV-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-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717979
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717881
1-(6-chloro-2-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717778
1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717575
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282
1-(5-iodo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717618
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711863
1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717468
1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718689
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712929

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide (CID 168717981) is 1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide is Cc1nc(Cl)cc(N2CC(S(N)(=O)=O)CC2=O)n1.
What is the InChIKey of 1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is FSTFTTBNHDELIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O3S/c1-5-12-7(10)3-8(13-5)14-4-6(2-9(14)15)18(11,16)17/h3,6H,2,4H2,1H3,(H2,11,16,17).
What are the key properties of 1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide?
1-(6-chloro-2-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-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).