1-[4-chloro-6-(2,4-dichlorophenoxy)pyrimidin-2-yl]-3-(2-chlorophenyl)sulfonylurea

C17H10Cl4N4O4S — CID 14724296

IUPAC1-[4-chloro-6-(2,4-dichlorophenoxy)pyrimidin-2-yl]-3-(2-chlorophenyl)sulfonylurea
SMILESO=C(Nc1nc(Cl)cc(Oc2ccc(Cl)cc2Cl)n1)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C17H10Cl4N4O4S/c18-9-5-6-12(11(20)7-9)29-15-8-14(21)22-16(23-15)24-17(26)25-30(27,28)13-4-2-1-3-10(13)19/h1-8H,(H2,22,23,24,25,26)
InChIKeyXUMYFYMRTBBSSE-UHFFFAOYSA-N
MW508.17 g/mol
LogP5.39
Rot. Bonds5

About 1-[4-chloro-6-(2,4-dichlorophenoxy)pyrimidin-2-yl]-3-(2-chlorophenyl)sulfonylurea

1-[4-chloro-6-(2,4-dichlorophenoxy)pyrimidin-2-yl]-3-(2-chlorophenyl)sulfonylurea (PubChem CID 14724296) has the molecular formula C17H10Cl4N4O4S and a molecular weight of 508.17 g/mol. Its IUPAC name is 1-[4-chloro-6-(2,4-dichlorophenoxy)pyrimidin-2-yl]-3-(2-chlorophenyl)sulfonylurea.

Molecular Properties

Compound Name1-[4-chloro-6-(2,4-dichlorophenoxy)pyrimidin-2-yl]-3-(2-chlorophenyl)sulfonylurea
PubChem CID14724296
Molecular FormulaC17H10Cl4N4O4S
Molecular Weight508.17 g/mol
Exact Mass505.92
IUPAC Name1-[4-chloro-6-(2,4-dichlorophenoxy)pyrimidin-2-yl]-3-(2-chlorophenyl)sulfonylurea
SMILESO=C(Nc1nc(Cl)cc(Oc2ccc(Cl)cc2Cl)n1)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C17H10Cl4N4O4S/c18-9-5-6-12(11(20)7-9)29-15-8-14(21)22-16(23-15)24-17(26)25-30(27,28)13-4-2-1-3-10(13)19/h1-8H,(H2,22,23,24,25,26)
InChIKeyXUMYFYMRTBBSSE-UHFFFAOYSA-N
XLogP5.39
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.17
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-chloro-6-(2,4-dichlorophenoxy)pyrimidin-2-yl]-3-(2-chlorophenyl)sulfonylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-6-(2,4-dichlorophenoxy)pyrimidin-2-yl]-3-(2-chlorophenyl)sulfonylurea?
The IUPAC name of 1-[4-chloro-6-(2,4-dichlorophenoxy)pyrimidin-2-yl]-3-(2-chlorophenyl)sulfonylurea (CID 14724296) is 1-[4-chloro-6-(2,4-dichlorophenoxy)pyrimidin-2-yl]-3-(2-chlorophenyl)sulfonylurea.
What is the SMILES notation for 1-[4-chloro-6-(2,4-dichlorophenoxy)pyrimidin-2-yl]-3-(2-chlorophenyl)sulfonylurea?
The canonical SMILES for 1-[4-chloro-6-(2,4-dichlorophenoxy)pyrimidin-2-yl]-3-(2-chlorophenyl)sulfonylurea is O=C(Nc1nc(Cl)cc(Oc2ccc(Cl)cc2Cl)n1)NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 1-[4-chloro-6-(2,4-dichlorophenoxy)pyrimidin-2-yl]-3-(2-chlorophenyl)sulfonylurea?
The InChIKey is XUMYFYMRTBBSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl4N4O4S/c18-9-5-6-12(11(20)7-9)29-15-8-14(21)22-16(23-15)24-17(26)25-30(27,28)13-4-2-1-3-10(13)19/h1-8H,(H2,22,23,24,25,26).
What are the key properties of 1-[4-chloro-6-(2,4-dichlorophenoxy)pyrimidin-2-yl]-3-(2-chlorophenyl)sulfonylurea?
1-[4-chloro-6-(2,4-dichlorophenoxy)pyrimidin-2-yl]-3-(2-chlorophenyl)sulfonylurea has a molecular weight of 508.17 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-6-(2,4-dichlorophenoxy)pyrimidin-2-yl]-3-(2-chlorophenyl)sulfonylurea is sourced from PubChem (CID 14724296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).