2-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrimidine-5-sulfonamide

C11H15ClN4O3S — CID 61042027

IUPAC2-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrimidine-5-sulfonamide
SMILESCC(CN1CCCC1=O)NS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C11H15ClN4O3S/c1-8(7-16-4-2-3-10(16)17)15-20(18,19)9-5-13-11(12)14-6-9/h5-6,8,15H,2-4,7H2,1H3
InChIKeyCZXKJDGCJSDLBD-UHFFFAOYSA-N
MW318.79 g/mol
LogP0.42
Rot. Bonds5

About 2-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrimidine-5-sulfonamide

2-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrimidine-5-sulfonamide (PubChem CID 61042027) has the molecular formula C11H15ClN4O3S and a molecular weight of 318.79 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrimidine-5-sulfonamide
PubChem CID61042027
Molecular FormulaC11H15ClN4O3S
Molecular Weight318.79 g/mol
Exact Mass318.06
IUPAC Name2-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrimidine-5-sulfonamide
SMILESCC(CN1CCCC1=O)NS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C11H15ClN4O3S/c1-8(7-16-4-2-3-10(16)17)15-20(18,19)9-5-13-11(12)14-6-9/h5-6,8,15H,2-4,7H2,1H3
InChIKeyCZXKJDGCJSDLBD-UHFFFAOYSA-N
XLogP0.42
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide
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2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide
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2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide
CID 61051308
1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one
CID 55109743
1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one
CID 55114701
4-nitro-N-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]benzenesulfonamide
CID 95321177
1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one
CID 64992946
1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one
CID 62758526
1-[2-(1-pyridin-2-ylethylamino)propyl]pyrrolidin-2-one
CID 54865845
2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide
CID 43456284
1-[2-[1-(5-chlorothiophen-3-yl)ethylamino]propyl]pyrrolidin-2-one
CID 102976460
1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one
CID 62406382

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrimidine-5-sulfonamide (CID 61042027) is 2-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrimidine-5-sulfonamide is CC(CN1CCCC1=O)NS(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrimidine-5-sulfonamide?
The InChIKey is CZXKJDGCJSDLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O3S/c1-8(7-16-4-2-3-10(16)17)15-20(18,19)9-5-13-11(12)14-6-9/h5-6,8,15H,2-4,7H2,1H3.
What are the key properties of 2-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrimidine-5-sulfonamide?
2-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrimidine-5-sulfonamide has a molecular weight of 318.79 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 61042027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).