1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonamide

C7H10FN3O4S — CID 81340441

IUPAC1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cn(CCCF)c(=O)[nH]c1=O
InChIInChI=1S/C7H10FN3O4S/c8-2-1-3-11-4-5(16(9,14)15)6(12)10-7(11)13/h4H,1-3H2,(H2,9,14,15)(H,10,12,13)
InChIKeyQBBJAIPFIKUQAQ-UHFFFAOYSA-N
MW251.24 g/mol
LogP-1.46
Rot. Bonds4

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

1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 81340441) has the molecular formula C7H10FN3O4S and a molecular weight of 251.24 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID81340441
Molecular FormulaC7H10FN3O4S
Molecular Weight251.24 g/mol
Exact Mass251.04
IUPAC Name1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cn(CCCF)c(=O)[nH]c1=O
InChIInChI=1S/C7H10FN3O4S/c8-2-1-3-11-4-5(16(9,14)15)6(12)10-7(11)13/h4H,1-3H2,(H2,9,14,15)(H,10,12,13)
InChIKeyQBBJAIPFIKUQAQ-UHFFFAOYSA-N
XLogP-1.46
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of 1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonamide (CID 81340441) is 1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for 1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for 1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonamide is NS(=O)(=O)c1cn(CCCF)c(=O)[nH]c1=O.
What is the InChIKey of 1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is QBBJAIPFIKUQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O4S/c8-2-1-3-11-4-5(16(9,14)15)6(12)10-7(11)13/h4H,1-3H2,(H2,9,14,15)(H,10,12,13).
What are the key properties of 1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonamide?
1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 251.24 g/mol, XLogP of -1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 81340441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).