4-chloro-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluorobenzenesulfonamide

C10H7ClFN3O4S — CID 167810356

IUPAC4-chloro-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluorobenzenesulfonamide
SMILESO=c1[nH]cc(NS(=O)(=O)c2ccc(Cl)c(F)c2)c(=O)[nH]1
InChIInChI=1S/C10H7ClFN3O4S/c11-6-2-1-5(3-7(6)12)20(18,19)15-8-4-13-10(17)14-9(8)16/h1-4,15H,(H2,13,14,16,17)
InChIKeyUPELURSOIUKMEG-UHFFFAOYSA-N
MW319.70 g/mol
LogP0.66
Rot. Bonds3

About 4-chloro-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluorobenzenesulfonamide

4-chloro-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluorobenzenesulfonamide (PubChem CID 167810356) has the molecular formula C10H7ClFN3O4S and a molecular weight of 319.70 g/mol. Its IUPAC name is 4-chloro-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluorobenzenesulfonamide
PubChem CID167810356
Molecular FormulaC10H7ClFN3O4S
Molecular Weight319.70 g/mol
Exact Mass318.98
IUPAC Name4-chloro-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluorobenzenesulfonamide
SMILESO=c1[nH]cc(NS(=O)(=O)c2ccc(Cl)c(F)c2)c(=O)[nH]1
InChIInChI=1S/C10H7ClFN3O4S/c11-6-2-1-5(3-7(6)12)20(18,19)15-8-4-13-10(17)14-9(8)16/h1-4,15H,(H2,13,14,16,17)
InChIKeyUPELURSOIUKMEG-UHFFFAOYSA-N
XLogP0.66
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.70
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dichloroanilino)-1H-pyrimidine-2,4-dione
CID 17275056
4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide
CID 97161953
N-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 166302689
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110424614
N-(3,4-dichloro-1H-indol-7-yl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide
CID 164877886
N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109274
N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide
CID 43343902
3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969900
N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide
CID 64788086
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 8015629
N-(3,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7244628

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluorobenzenesulfonamide (CID 167810356) is 4-chloro-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluorobenzenesulfonamide is O=c1[nH]cc(NS(=O)(=O)c2ccc(Cl)c(F)c2)c(=O)[nH]1.
What is the InChIKey of 4-chloro-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluorobenzenesulfonamide?
The InChIKey is UPELURSOIUKMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O4S/c11-6-2-1-5(3-7(6)12)20(18,19)15-8-4-13-10(17)14-9(8)16/h1-4,15H,(H2,13,14,16,17).
What are the key properties of 4-chloro-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluorobenzenesulfonamide?
4-chloro-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluorobenzenesulfonamide has a molecular weight of 319.70 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 167810356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).