N-(6-fluoro-3-pyridinyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C11H11FN4O4S — CID 103930901

IUPACN-(6-fluoro-3-pyridinyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(F)nc2)c(=O)n(C)c1=O
InChIInChI=1S/C11H11FN4O4S/c1-15-6-8(10(17)16(2)11(15)18)21(19,20)14-7-3-4-9(12)13-5-7/h3-6,14H,1-2H3
InChIKeyLUAYJBFRMKKGBB-UHFFFAOYSA-N
MW314.30 g/mol
LogP-0.58
Rot. Bonds3

About N-(6-fluoro-3-pyridinyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-(6-fluoro-3-pyridinyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 103930901) has the molecular formula C11H11FN4O4S and a molecular weight of 314.30 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID103930901
Molecular FormulaC11H11FN4O4S
Molecular Weight314.30 g/mol
Exact Mass314.05
IUPAC NameN-(6-fluoro-3-pyridinyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(F)nc2)c(=O)n(C)c1=O
InChIInChI=1S/C11H11FN4O4S/c1-15-6-8(10(17)16(2)11(15)18)21(19,20)14-7-3-4-9(12)13-5-7/h3-6,14H,1-2H3
InChIKeyLUAYJBFRMKKGBB-UHFFFAOYSA-N
XLogP-0.58
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-pyridinyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 103930901) is N-(6-fluoro-3-pyridinyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccc(F)nc2)c(=O)n(C)c1=O.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is LUAYJBFRMKKGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O4S/c1-15-6-8(10(17)16(2)11(15)18)21(19,20)14-7-3-4-9(12)13-5-7/h3-6,14H,1-2H3.
What are the key properties of N-(6-fluoro-3-pyridinyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(6-fluoro-3-pyridinyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 314.30 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 103930901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).