4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine

C16H11Cl2N3O2S — CID 1475305

IUPAC4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine
SMILESNc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H11Cl2N3O2S/c17-11-3-1-10(2-4-11)15-14(9-20-16(19)21-15)24(22,23)13-7-5-12(18)6-8-13/h1-9H,(H2,19,20,21)
InChIKeyFEPFZAXWXDKZDG-UHFFFAOYSA-N
MW380.26 g/mol
LogP3.87
Rot. Bonds3

About 4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine

4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine (PubChem CID 1475305) has the molecular formula C16H11Cl2N3O2S and a molecular weight of 380.26 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine
PubChem CID1475305
Molecular FormulaC16H11Cl2N3O2S
Molecular Weight380.26 g/mol
Exact Mass378.99
IUPAC Name4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine
SMILESNc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H11Cl2N3O2S/c17-11-3-1-10(2-4-11)15-14(9-20-16(19)21-15)24(22,23)13-7-5-12(18)6-8-13/h1-9H,(H2,19,20,21)
InChIKeyFEPFZAXWXDKZDG-UHFFFAOYSA-N
XLogP3.87
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine (CID 1475305) is 4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine is Nc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine?
The InChIKey is FEPFZAXWXDKZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2S/c17-11-3-1-10(2-4-11)15-14(9-20-16(19)21-15)24(22,23)13-7-5-12(18)6-8-13/h1-9H,(H2,19,20,21).
What are the key properties of 4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine?
4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine has a molecular weight of 380.26 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine is sourced from PubChem (CID 1475305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).