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

C14H16Cl2N4O2S — CID 21041391

IUPACN-(butylsulfamoyl)-6-chloro-5-(4-chlorophenyl)pyrimidin-4-amine
SMILESCCCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H16Cl2N4O2S/c1-2-3-8-19-23(21,22)20-14-12(13(16)17-9-18-14)10-4-6-11(15)7-5-10/h4-7,9,19H,2-3,8H2,1H3,(H,17,18,20)
InChIKeyOZQJQARETWJKHP-UHFFFAOYSA-N
MW375.28 g/mol
LogP3.50
Rot. Bonds7

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

N-(butylsulfamoyl)-6-chloro-5-(4-chlorophenyl)pyrimidin-4-amine (PubChem CID 21041391) has the molecular formula C14H16Cl2N4O2S and a molecular weight of 375.28 g/mol. Its IUPAC name is N-(butylsulfamoyl)-6-chloro-5-(4-chlorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(butylsulfamoyl)-6-chloro-5-(4-chlorophenyl)pyrimidin-4-amine
PubChem CID21041391
Molecular FormulaC14H16Cl2N4O2S
Molecular Weight375.28 g/mol
Exact Mass374.04
IUPAC NameN-(butylsulfamoyl)-6-chloro-5-(4-chlorophenyl)pyrimidin-4-amine
SMILESCCCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H16Cl2N4O2S/c1-2-3-8-19-23(21,22)20-14-12(13(16)17-9-18-14)10-4-6-11(15)7-5-10/h4-7,9,19H,2-3,8H2,1H3,(H,17,18,20)
InChIKeyOZQJQARETWJKHP-UHFFFAOYSA-N
XLogP3.50
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(butylsulfamoyl)-6-chloro-5-(4-chlorophenyl)pyrimidin-4-amine?
The IUPAC name of N-(butylsulfamoyl)-6-chloro-5-(4-chlorophenyl)pyrimidin-4-amine (CID 21041391) is N-(butylsulfamoyl)-6-chloro-5-(4-chlorophenyl)pyrimidin-4-amine.
What is the SMILES notation for N-(butylsulfamoyl)-6-chloro-5-(4-chlorophenyl)pyrimidin-4-amine?
The canonical SMILES for N-(butylsulfamoyl)-6-chloro-5-(4-chlorophenyl)pyrimidin-4-amine is CCCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of N-(butylsulfamoyl)-6-chloro-5-(4-chlorophenyl)pyrimidin-4-amine?
The InChIKey is OZQJQARETWJKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O2S/c1-2-3-8-19-23(21,22)20-14-12(13(16)17-9-18-14)10-4-6-11(15)7-5-10/h4-7,9,19H,2-3,8H2,1H3,(H,17,18,20).
What are the key properties of N-(butylsulfamoyl)-6-chloro-5-(4-chlorophenyl)pyrimidin-4-amine?
N-(butylsulfamoyl)-6-chloro-5-(4-chlorophenyl)pyrimidin-4-amine has a molecular weight of 375.28 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylsulfamoyl)-6-chloro-5-(4-chlorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 21041391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).