2-[3-[(2-chlorophenyl)sulfonylcarbamoylamino]thiophen-2-yl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid

C17H13ClN4O7S2 — CID 68883146

IUPAC2-[3-[(2-chlorophenyl)sulfonylcarbamoylamino]thiophen-2-yl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid
SMILESCn1c(-c2sccc2NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(C(=O)O)c(O)c1=O
InChIInChI=1S/C17H13ClN4O7S2/c1-22-14(20-11(16(25)26)12(23)15(22)24)13-9(6-7-30-13)19-17(27)21-31(28,29)10-5-3-2-4-8(10)18/h2-7,23H,1H3,(H,25,26)(H2,19,21,27)
InChIKeyQELSZULAOQFXEU-UHFFFAOYSA-N
MW484.90 g/mol
LogP2.08
Rot. Bonds5

About 2-[3-[(2-chlorophenyl)sulfonylcarbamoylamino]thiophen-2-yl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid

2-[3-[(2-chlorophenyl)sulfonylcarbamoylamino]thiophen-2-yl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid (PubChem CID 68883146) has the molecular formula C17H13ClN4O7S2 and a molecular weight of 484.90 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)sulfonylcarbamoylamino]thiophen-2-yl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)sulfonylcarbamoylamino]thiophen-2-yl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid
PubChem CID68883146
Molecular FormulaC17H13ClN4O7S2
Molecular Weight484.90 g/mol
Exact Mass483.99
IUPAC Name2-[3-[(2-chlorophenyl)sulfonylcarbamoylamino]thiophen-2-yl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid
SMILESCn1c(-c2sccc2NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(C(=O)O)c(O)c1=O
InChIInChI=1S/C17H13ClN4O7S2/c1-22-14(20-11(16(25)26)12(23)15(22)24)13-9(6-7-30-13)19-17(27)21-31(28,29)10-5-3-2-4-8(10)18/h2-7,23H,1H3,(H,25,26)(H2,19,21,27)
InChIKeyQELSZULAOQFXEU-UHFFFAOYSA-N
XLogP2.08
TPSA167.69 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.90
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)sulfonylcarbamoylamino]thiophen-2-yl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid?
The IUPAC name of 2-[3-[(2-chlorophenyl)sulfonylcarbamoylamino]thiophen-2-yl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid (CID 68883146) is 2-[3-[(2-chlorophenyl)sulfonylcarbamoylamino]thiophen-2-yl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)sulfonylcarbamoylamino]thiophen-2-yl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[3-[(2-chlorophenyl)sulfonylcarbamoylamino]thiophen-2-yl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid is Cn1c(-c2sccc2NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(C(=O)O)c(O)c1=O.
What is the InChIKey of 2-[3-[(2-chlorophenyl)sulfonylcarbamoylamino]thiophen-2-yl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid?
The InChIKey is QELSZULAOQFXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O7S2/c1-22-14(20-11(16(25)26)12(23)15(22)24)13-9(6-7-30-13)19-17(27)21-31(28,29)10-5-3-2-4-8(10)18/h2-7,23H,1H3,(H,25,26)(H2,19,21,27).
What are the key properties of 2-[3-[(2-chlorophenyl)sulfonylcarbamoylamino]thiophen-2-yl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid?
2-[3-[(2-chlorophenyl)sulfonylcarbamoylamino]thiophen-2-yl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid has a molecular weight of 484.90 g/mol, XLogP of 2.08, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)sulfonylcarbamoylamino]thiophen-2-yl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid is sourced from PubChem (CID 68883146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).