4-chloro-1-N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzene-1,2-dicarboxamide

C18H11Cl2FN4O5S — CID 66973631

IUPAC4-chloro-1-N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzene-1,2-dicarboxamide
SMILESNC(=O)c1cc(Cl)ccc1C(=O)Nc1nc(=O)n(S(=O)(=O)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C18H11Cl2FN4O5S/c19-9-1-4-11(5-2-9)31(29,30)25-8-14(21)16(24-18(25)28)23-17(27)12-6-3-10(20)7-13(12)15(22)26/h1-8H,(H2,22,26)(H,23,24,27,28)
InChIKeyNJTSRSJVYIXYML-UHFFFAOYSA-N
MW485.28 g/mol
LogP2.28
Rot. Bonds5

About 4-chloro-1-N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzene-1,2-dicarboxamide

4-chloro-1-N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzene-1,2-dicarboxamide (PubChem CID 66973631) has the molecular formula C18H11Cl2FN4O5S and a molecular weight of 485.28 g/mol. Its IUPAC name is 4-chloro-1-N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name4-chloro-1-N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzene-1,2-dicarboxamide
PubChem CID66973631
Molecular FormulaC18H11Cl2FN4O5S
Molecular Weight485.28 g/mol
Exact Mass483.98
IUPAC Name4-chloro-1-N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzene-1,2-dicarboxamide
SMILESNC(=O)c1cc(Cl)ccc1C(=O)Nc1nc(=O)n(S(=O)(=O)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C18H11Cl2FN4O5S/c19-9-1-4-11(5-2-9)31(29,30)25-8-14(21)16(24-18(25)28)23-17(27)12-6-3-10(20)7-13(12)15(22)26/h1-8H,(H2,22,26)(H,23,24,27,28)
InChIKeyNJTSRSJVYIXYML-UHFFFAOYSA-N
XLogP2.28
TPSA141.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
4-chloro-N-[6-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide
CID 66972080
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)sulfanyl-5-fluoro-2-oxopyrimidin-4-yl]-4-methylbenzamide
CID 123519902
N-[1-(4-chlorophenyl)sulfinyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide
CID 124031158
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
4-chlorobenzenesulfonyl chloride;4-chloro-N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide;4-chloro-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)benzamide
CID 159084022

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzene-1,2-dicarboxamide?
The IUPAC name of 4-chloro-1-N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzene-1,2-dicarboxamide (CID 66973631) is 4-chloro-1-N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzene-1,2-dicarboxamide.
What is the SMILES notation for 4-chloro-1-N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzene-1,2-dicarboxamide?
The canonical SMILES for 4-chloro-1-N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzene-1,2-dicarboxamide is NC(=O)c1cc(Cl)ccc1C(=O)Nc1nc(=O)n(S(=O)(=O)c2ccc(Cl)cc2)cc1F.
What is the InChIKey of 4-chloro-1-N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzene-1,2-dicarboxamide?
The InChIKey is NJTSRSJVYIXYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2FN4O5S/c19-9-1-4-11(5-2-9)31(29,30)25-8-14(21)16(24-18(25)28)23-17(27)12-6-3-10(20)7-13(12)15(22)26/h1-8H,(H2,22,26)(H,23,24,27,28).
What are the key properties of 4-chloro-1-N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzene-1,2-dicarboxamide?
4-chloro-1-N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzene-1,2-dicarboxamide has a molecular weight of 485.28 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzene-1,2-dicarboxamide is sourced from PubChem (CID 66973631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).