2,4-dioxo-1-propan-2-ylpyrimidine-5-sulfonyl chloride

C7H9ClN2O4S — CID 84707700

IUPAC2,4-dioxo-1-propan-2-ylpyrimidine-5-sulfonyl chloride
SMILESCC(C)n1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O
InChIInChI=1S/C7H9ClN2O4S/c1-4(2)10-3-5(15(8,13)14)6(11)9-7(10)12/h3-4H,1-2H3,(H,9,11,12)
InChIKeyWWAZDRAWBJBSPN-UHFFFAOYSA-N
MW252.68 g/mol
LogP0.05
Rot. Bonds2

About 2,4-dioxo-1-propan-2-ylpyrimidine-5-sulfonyl chloride

2,4-dioxo-1-propan-2-ylpyrimidine-5-sulfonyl chloride (PubChem CID 84707700) has the molecular formula C7H9ClN2O4S and a molecular weight of 252.68 g/mol. Its IUPAC name is 2,4-dioxo-1-propan-2-ylpyrimidine-5-sulfonyl chloride.

Molecular Properties

Compound Name2,4-dioxo-1-propan-2-ylpyrimidine-5-sulfonyl chloride
PubChem CID84707700
Molecular FormulaC7H9ClN2O4S
Molecular Weight252.68 g/mol
Exact Mass252.00
IUPAC Name2,4-dioxo-1-propan-2-ylpyrimidine-5-sulfonyl chloride
SMILESCC(C)n1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O
InChIInChI=1S/C7H9ClN2O4S/c1-4(2)10-3-5(15(8,13)14)6(11)9-7(10)12/h3-4H,1-2H3,(H,9,11,12)
InChIKeyWWAZDRAWBJBSPN-UHFFFAOYSA-N
XLogP0.05
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinesulfonamide
CID 73270
2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride
CID 234620
1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride
CID 4962717
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride
CID 64341367
1-Hexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride
CID 64340596
5-(Methanesulfonyl)pyrimidine-2,4(1H,3H)-dione
CID 244105
1-(2,2-Difluoroethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride
CID 64339829
2,4-Dioxo-1-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonyl chloride
CID 64340217
1-(Difluoromethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride
CID 64341944
2,4-Dioxo-1-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonyl chloride
CID 64565945
1-(2-Fluoroethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride
CID 80695461
1-(3-Fluoropropyl)-2,4-dioxopyrimidine-5-sulfonyl chloride
CID 81114146

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-propan-2-ylpyrimidine-5-sulfonyl chloride?
The IUPAC name of 2,4-dioxo-1-propan-2-ylpyrimidine-5-sulfonyl chloride (CID 84707700) is 2,4-dioxo-1-propan-2-ylpyrimidine-5-sulfonyl chloride.
What is the SMILES notation for 2,4-dioxo-1-propan-2-ylpyrimidine-5-sulfonyl chloride?
The canonical SMILES for 2,4-dioxo-1-propan-2-ylpyrimidine-5-sulfonyl chloride is CC(C)n1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1-propan-2-ylpyrimidine-5-sulfonyl chloride?
The InChIKey is WWAZDRAWBJBSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O4S/c1-4(2)10-3-5(15(8,13)14)6(11)9-7(10)12/h3-4H,1-2H3,(H,9,11,12).
What are the key properties of 2,4-dioxo-1-propan-2-ylpyrimidine-5-sulfonyl chloride?
2,4-dioxo-1-propan-2-ylpyrimidine-5-sulfonyl chloride has a molecular weight of 252.68 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-propan-2-ylpyrimidine-5-sulfonyl chloride is sourced from PubChem (CID 84707700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).