1-[(5-fluoro-2-methylphenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide

C12H12FN3O4S — CID 105376392

IUPAC1-[(5-fluoro-2-methylphenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide
SMILESCc1ccc(F)cc1Cn1cc(S(N)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C12H12FN3O4S/c1-7-2-3-9(13)4-8(7)5-16-6-10(21(14,19)20)11(17)15-12(16)18/h2-4,6H,5H2,1H3,(H2,14,19,20)(H,15,17,18)
InChIKeyUMIMESBPWXGPKP-UHFFFAOYSA-N
MW313.31 g/mol
LogP-0.32
Rot. Bonds3

About 1-[(5-fluoro-2-methylphenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide

1-[(5-fluoro-2-methylphenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 105376392) has the molecular formula C12H12FN3O4S and a molecular weight of 313.31 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID105376392
Molecular FormulaC12H12FN3O4S
Molecular Weight313.31 g/mol
Exact Mass313.05
IUPAC Name1-[(5-fluoro-2-methylphenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide
SMILESCc1ccc(F)cc1Cn1cc(S(N)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C12H12FN3O4S/c1-7-2-3-9(13)4-8(7)5-16-6-10(21(14,19)20)11(17)15-12(16)18/h2-4,6H,5H2,1H3,(H2,14,19,20)(H,15,17,18)
InChIKeyUMIMESBPWXGPKP-UHFFFAOYSA-N
XLogP-0.32
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,6-difluorophenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide
CID 114935276
1-[(3-bromo-4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide
CID 81337621
1-(2-methylpropyl)-2,4-dioxopyrimidine-5-sulfonamide
CID 81340538
1-[(2-chloro-5-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 102620271
5-bromo-1-[(2,4-difluorophenyl)methyl]pyrimidine-2,4-dione
CID 63777458
2,4-dioxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-5-sulfonamide
CID 81336433
1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one
CID 105375362
4-methyl-3-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile
CID 143566289
ethane;4-methyl-3-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile
CID 143566288
5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 66330527
2-[(5-chloro-2,4-dioxopyrimidin-1-yl)methyl]-4-fluorobenzonitrile
CID 103760336
1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one
CID 105375364

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide (CID 105376392) is 1-[(5-fluoro-2-methylphenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide is Cc1ccc(F)cc1Cn1cc(S(N)(=O)=O)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is UMIMESBPWXGPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O4S/c1-7-2-3-9(13)4-8(7)5-16-6-10(21(14,19)20)11(17)15-12(16)18/h2-4,6H,5H2,1H3,(H2,14,19,20)(H,15,17,18).
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide?
1-[(5-fluoro-2-methylphenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 313.31 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 105376392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).