6-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-sulfonamide

C12H10F3N3O4S — CID 3345054

IUPAC6-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O4S/c1-6-9(10(19)17-11(20)16-6)23(21,22)18-8-4-2-3-7(5-8)12(13,14)15/h2-5,18H,1H3,(H2,16,17,19,20)
InChIKeyVCFGFANDINPQKS-UHFFFAOYSA-N
MW349.29 g/mol
LogP1.19
Rot. Bonds3

About 6-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-sulfonamide

6-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-sulfonamide (PubChem CID 3345054) has the molecular formula C12H10F3N3O4S and a molecular weight of 349.29 g/mol. Its IUPAC name is 6-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name6-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-sulfonamide
PubChem CID3345054
Molecular FormulaC12H10F3N3O4S
Molecular Weight349.29 g/mol
Exact Mass349.03
IUPAC Name6-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O4S/c1-6-9(10(19)17-11(20)16-6)23(21,22)18-8-4-2-3-7(5-8)12(13,14)15/h2-5,18H,1H3,(H2,16,17,19,20)
InChIKeyVCFGFANDINPQKS-UHFFFAOYSA-N
XLogP1.19
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-sulfonamide?
The IUPAC name of 6-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-sulfonamide (CID 3345054) is 6-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for 6-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for 6-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-sulfonamide is Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-sulfonamide?
The InChIKey is VCFGFANDINPQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O4S/c1-6-9(10(19)17-11(20)16-6)23(21,22)18-8-4-2-3-7(5-8)12(13,14)15/h2-5,18H,1H3,(H2,16,17,19,20).
What are the key properties of 6-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-sulfonamide?
6-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-sulfonamide has a molecular weight of 349.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 3345054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).