N-(3,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C10H7F2N3O4S — CID 7244628

IUPACN-(3,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)Nc2ccc(F)c(F)c2)c(=O)[nH]1
InChIInChI=1S/C10H7F2N3O4S/c11-6-2-1-5(3-7(6)12)15-20(18,19)8-4-13-10(17)14-9(8)16/h1-4,15H,(H2,13,14,16,17)
InChIKeyHZRDAUSJGWLTTB-UHFFFAOYSA-N
MW303.25 g/mol
LogP0.14
Rot. Bonds3

About N-(3,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-(3,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 7244628) has the molecular formula C10H7F2N3O4S and a molecular weight of 303.25 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID7244628
Molecular FormulaC10H7F2N3O4S
Molecular Weight303.25 g/mol
Exact Mass303.01
IUPAC NameN-(3,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)Nc2ccc(F)c(F)c2)c(=O)[nH]1
InChIInChI=1S/C10H7F2N3O4S/c11-6-2-1-5(3-7(6)12)15-20(18,19)8-4-13-10(17)14-9(8)16/h1-4,15H,(H2,13,14,16,17)
InChIKeyHZRDAUSJGWLTTB-UHFFFAOYSA-N
XLogP0.14
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7244632
N-(3-chloro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7253860
N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7161234
2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide
CID 43980578
N-(1H-indazol-6-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 21008102
N-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7635718
N-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 175014970
N-[4-[1-(2-fluorophenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 155551688
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
2,4-dioxo-N-[4-(tetrazol-1-yl)phenyl]-1H-pyrimidine-5-sulfonamide
CID 21008096
N-[4-[1-(4-chlorophenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 155527974
N-[3-[1-(3-fluorophenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 155555661

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 7244628) is N-(3,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is O=c1[nH]cc(S(=O)(=O)Nc2ccc(F)c(F)c2)c(=O)[nH]1.
What is the InChIKey of N-(3,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is HZRDAUSJGWLTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O4S/c11-6-2-1-5(3-7(6)12)15-20(18,19)8-4-13-10(17)14-9(8)16/h1-4,15H,(H2,13,14,16,17).
What are the key properties of N-(3,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-(3,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 303.25 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 7244628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).