1-(4-chlorophenyl)sulfonyl-5-fluoropyrimidine-2,4-dione

C10H6ClFN2O4S — CID 10380350

IUPAC1-(4-chlorophenyl)sulfonyl-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(S(=O)(=O)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C10H6ClFN2O4S/c11-6-1-3-7(4-2-6)19(17,18)14-5-8(12)9(15)13-10(14)16/h1-5H,(H,13,15,16)
InChIKeyURQKQBORPRIMLG-UHFFFAOYSA-N
MW304.69 g/mol
LogP0.57
Rot. Bonds2

About 1-(4-chlorophenyl)sulfonyl-5-fluoropyrimidine-2,4-dione

1-(4-chlorophenyl)sulfonyl-5-fluoropyrimidine-2,4-dione (PubChem CID 10380350) has the molecular formula C10H6ClFN2O4S and a molecular weight of 304.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-5-fluoropyrimidine-2,4-dione
PubChem CID10380350
Molecular FormulaC10H6ClFN2O4S
Molecular Weight304.69 g/mol
Exact Mass303.97
IUPAC Name1-(4-chlorophenyl)sulfonyl-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(S(=O)(=O)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C10H6ClFN2O4S/c11-6-1-3-7(4-2-6)19(17,18)14-5-8(12)9(15)13-10(14)16/h1-5H,(H,13,15,16)
InChIKeyURQKQBORPRIMLG-UHFFFAOYSA-N
XLogP0.57
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.69
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-fluoropyrimidine-2,4-dione (CID 10380350) is 1-(4-chlorophenyl)sulfonyl-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-5-fluoropyrimidine-2,4-dione is O=c1[nH]c(=O)n(S(=O)(=O)c2ccc(Cl)cc2)cc1F.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-5-fluoropyrimidine-2,4-dione?
The InChIKey is URQKQBORPRIMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O4S/c11-6-1-3-7(4-2-6)19(17,18)14-5-8(12)9(15)13-10(14)16/h1-5H,(H,13,15,16).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-5-fluoropyrimidine-2,4-dione?
1-(4-chlorophenyl)sulfonyl-5-fluoropyrimidine-2,4-dione has a molecular weight of 304.69 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 10380350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).