1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonyl chloride

C7H8ClFN2O4S — CID 81114146

IUPAC1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonyl chloride
SMILESO=c1[nH]c(=O)n(CCCF)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H8ClFN2O4S/c8-16(14,15)5-4-11(3-1-2-9)7(13)10-6(5)12/h4H,1-3H2,(H,10,12,13)
InChIKeyDBVRNJIDWAOACG-UHFFFAOYSA-N
MW270.67 g/mol
LogP-0.18
Rot. Bonds4

About 1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonyl chloride

1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonyl chloride (PubChem CID 81114146) has the molecular formula C7H8ClFN2O4S and a molecular weight of 270.67 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonyl chloride
PubChem CID81114146
Molecular FormulaC7H8ClFN2O4S
Molecular Weight270.67 g/mol
Exact Mass269.99
IUPAC Name1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonyl chloride
SMILESO=c1[nH]c(=O)n(CCCF)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H8ClFN2O4S/c8-16(14,15)5-4-11(3-1-2-9)7(13)10-6(5)12/h4H,1-3H2,(H,10,12,13)
InChIKeyDBVRNJIDWAOACG-UHFFFAOYSA-N
XLogP-0.18
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 5-0.18
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
2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl fluoride
CID 3102991
1-Methanesulfonyl-5-fluorouracil
CID 582755
1-Hexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride
CID 64340596
Methyl (5-fluoro-2,4-dioxopyrimidin-1-yl)methanesulfonate
CID 123710185
1-Butanesulfonyl-5-fluorouracil
CID 582626
1-Ethylsulfonyl-5-fluoropyrimidine-2,4-dione
CID 21520985
1-(2,2-Difluoroethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride
CID 64339829
2,4-Dioxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-5-sulfonyl chloride
CID 64340022

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonyl chloride?
The IUPAC name of 1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonyl chloride (CID 81114146) is 1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonyl chloride.
What is the SMILES notation for 1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonyl chloride?
The canonical SMILES for 1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonyl chloride is O=c1[nH]c(=O)n(CCCF)cc1S(=O)(=O)Cl.
What is the InChIKey of 1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonyl chloride?
The InChIKey is DBVRNJIDWAOACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O4S/c8-16(14,15)5-4-11(3-1-2-9)7(13)10-6(5)12/h4H,1-3H2,(H,10,12,13).
What are the key properties of 1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonyl chloride?
1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonyl chloride has a molecular weight of 270.67 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonyl chloride is sourced from PubChem (CID 81114146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).