6-chloro-5-(4-chlorophenyl)-N-(ethylsulfamoyl)pyrimidin-4-amine

C12H12Cl2N4O2S — CID 21041343

IUPAC6-chloro-5-(4-chlorophenyl)-N-(ethylsulfamoyl)pyrimidin-4-amine
SMILESCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H12Cl2N4O2S/c1-2-17-21(19,20)18-12-10(11(14)15-7-16-12)8-3-5-9(13)6-4-8/h3-7,17H,2H2,1H3,(H,15,16,18)
InChIKeySAOOVOYKZQWBSP-UHFFFAOYSA-N
MW347.23 g/mol
LogP2.72
Rot. Bonds5

About 6-chloro-5-(4-chlorophenyl)-N-(ethylsulfamoyl)pyrimidin-4-amine

6-chloro-5-(4-chlorophenyl)-N-(ethylsulfamoyl)pyrimidin-4-amine (PubChem CID 21041343) has the molecular formula C12H12Cl2N4O2S and a molecular weight of 347.23 g/mol. Its IUPAC name is 6-chloro-5-(4-chlorophenyl)-N-(ethylsulfamoyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(4-chlorophenyl)-N-(ethylsulfamoyl)pyrimidin-4-amine
PubChem CID21041343
Molecular FormulaC12H12Cl2N4O2S
Molecular Weight347.23 g/mol
Exact Mass346.01
IUPAC Name6-chloro-5-(4-chlorophenyl)-N-(ethylsulfamoyl)pyrimidin-4-amine
SMILESCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H12Cl2N4O2S/c1-2-17-21(19,20)18-12-10(11(14)15-7-16-12)8-3-5-9(13)6-4-8/h3-7,17H,2H2,1H3,(H,15,16,18)
InChIKeySAOOVOYKZQWBSP-UHFFFAOYSA-N
XLogP2.72
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(4-chlorophenyl)-N-(ethylsulfamoyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(4-chlorophenyl)-N-(ethylsulfamoyl)pyrimidin-4-amine (CID 21041343) is 6-chloro-5-(4-chlorophenyl)-N-(ethylsulfamoyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(4-chlorophenyl)-N-(ethylsulfamoyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(4-chlorophenyl)-N-(ethylsulfamoyl)pyrimidin-4-amine is CCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-5-(4-chlorophenyl)-N-(ethylsulfamoyl)pyrimidin-4-amine?
The InChIKey is SAOOVOYKZQWBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O2S/c1-2-17-21(19,20)18-12-10(11(14)15-7-16-12)8-3-5-9(13)6-4-8/h3-7,17H,2H2,1H3,(H,15,16,18).
What are the key properties of 6-chloro-5-(4-chlorophenyl)-N-(ethylsulfamoyl)pyrimidin-4-amine?
6-chloro-5-(4-chlorophenyl)-N-(ethylsulfamoyl)pyrimidin-4-amine has a molecular weight of 347.23 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(4-chlorophenyl)-N-(ethylsulfamoyl)pyrimidin-4-amine is sourced from PubChem (CID 21041343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).