4-chloro-N-[6-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide

C17H10Cl2FN3O4S — CID 66972080

IUPAC4-chloro-N-[6-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide
SMILESO=C(Nc1nc(=O)[nH]c(S(=O)(=O)c2ccc(Cl)cc2)c1F)c1ccc(Cl)cc1
InChIInChI=1S/C17H10Cl2FN3O4S/c18-10-3-1-9(2-4-10)15(24)21-14-13(20)16(23-17(25)22-14)28(26,27)12-7-5-11(19)6-8-12/h1-8H,(H2,21,22,23,24,25)
InChIKeyHNJIJJAZUOIXFG-UHFFFAOYSA-N
MW442.26 g/mol
LogP3.30
Rot. Bonds4

About 4-chloro-N-[6-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide

4-chloro-N-[6-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide (PubChem CID 66972080) has the molecular formula C17H10Cl2FN3O4S and a molecular weight of 442.26 g/mol. Its IUPAC name is 4-chloro-N-[6-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide
PubChem CID66972080
Molecular FormulaC17H10Cl2FN3O4S
Molecular Weight442.26 g/mol
Exact Mass440.98
IUPAC Name4-chloro-N-[6-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide
SMILESO=C(Nc1nc(=O)[nH]c(S(=O)(=O)c2ccc(Cl)cc2)c1F)c1ccc(Cl)cc1
InChIInChI=1S/C17H10Cl2FN3O4S/c18-10-3-1-9(2-4-10)15(24)21-14-13(20)16(23-17(25)22-14)28(26,27)12-7-5-11(19)6-8-12/h1-8H,(H2,21,22,23,24,25)
InChIKeyHNJIJJAZUOIXFG-UHFFFAOYSA-N
XLogP3.30
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.26
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-N-[2,2-dichloro-1-(4-chlorobenzenesulfonyl)ethenyl]benzamide
CID 5059926
N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]-4-methylbenzamide
CID 58138421
N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide
CID 58138428
N-[6-(benzenesulfonyl)-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide
CID 66971839
4-chloro-1-N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzene-1,2-dicarboxamide
CID 66973631
4-chloro-N-[1-(4-chlorobenzenesulfonyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]benzamide
CID 66973638
N-[1-[(4-chlorophenyl)-methylidene-oxo-lambda6-sulfanyl]-5-fluoro-2-oxopyrimidin-4-yl]benzamide
CID 88980218
N-[1-(4-chlorophenyl)sulfinyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide
CID 124031158
5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135493263
N-[1-(4-chlorophenyl)sulfanyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide
CID 144134925
N-[1-(4-chlorophenyl)sulfinyl-5-fluoro-2-oxopyrimidin-4-yl]-4-methylbenzamide
CID 144134931
N-{2,2-dichloro-1-[(4-chlorophenyl)sulfonyl]vinyl}(4-fluorophenyl)carboxamide
CID 1181947

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide?
The IUPAC name of 4-chloro-N-[6-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide (CID 66972080) is 4-chloro-N-[6-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-[6-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide is O=C(Nc1nc(=O)[nH]c(S(=O)(=O)c2ccc(Cl)cc2)c1F)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[6-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide?
The InChIKey is HNJIJJAZUOIXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2FN3O4S/c18-10-3-1-9(2-4-10)15(24)21-14-13(20)16(23-17(25)22-14)28(26,27)12-7-5-11(19)6-8-12/h1-8H,(H2,21,22,23,24,25).
What are the key properties of 4-chloro-N-[6-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide?
4-chloro-N-[6-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide has a molecular weight of 442.26 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide is sourced from PubChem (CID 66972080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).