N-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C10H8FN3O4S — CID 7244632

IUPACN-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)Nc2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C10H8FN3O4S/c11-6-1-3-7(4-2-6)14-19(17,18)8-5-12-10(16)13-9(8)15/h1-5,14H,(H2,12,13,15,16)
InChIKeyGQNHJUNVCRFLLU-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.00
Rot. Bonds3

About N-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 7244632) has the molecular formula C10H8FN3O4S and a molecular weight of 285.26 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID7244632
Molecular FormulaC10H8FN3O4S
Molecular Weight285.26 g/mol
Exact Mass285.02
IUPAC NameN-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)Nc2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C10H8FN3O4S/c11-6-1-3-7(4-2-6)14-19(17,18)8-5-12-10(16)13-9(8)15/h1-5,14H,(H2,12,13,15,16)
InChIKeyGQNHJUNVCRFLLU-UHFFFAOYSA-N
XLogP0.00
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7161234
N-(3,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7244628
2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide
CID 43980578
N-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7635718
N-(3-chloro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7253860
2,4-dioxo-N-[4-(tetrazol-1-yl)phenyl]-1H-pyrimidine-5-sulfonamide
CID 21008096
N-(1H-indazol-6-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 21008102
N-[4-[1-(2-fluorophenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 155551688
1-butyl-3-[4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]phenyl]sulfonylurea
CID 21008136
N-[4-[1-(4-chlorophenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 155527974
4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 177371324
N-[(E)-(3-bromophenyl)methylideneamino]-4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide
CID 177371333

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 7244632) is N-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is O=c1[nH]cc(S(=O)(=O)Nc2ccc(F)cc2)c(=O)[nH]1.
What is the InChIKey of N-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is GQNHJUNVCRFLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O4S/c11-6-1-3-7(4-2-6)14-19(17,18)8-5-12-10(16)13-9(8)15/h1-5,14H,(H2,12,13,15,16).
What are the key properties of N-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 285.26 g/mol, XLogP of 0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 7244632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).