N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine

C17H15ClN4O2S — CID 21041385

IUPACN-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine
SMILESO=S(=O)(NCc1ccccc1)Nc1ncnc(Cl)c1-c1ccccc1
InChIInChI=1S/C17H15ClN4O2S/c18-16-15(14-9-5-2-6-10-14)17(20-12-19-16)22-25(23,24)21-11-13-7-3-1-4-8-13/h1-10,12,21H,11H2,(H,19,20,22)
InChIKeyIKNPAUPVMCLDLD-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.24
Rot. Bonds6

About N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine

N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine (PubChem CID 21041385) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine
PubChem CID21041385
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC NameN-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine
SMILESO=S(=O)(NCc1ccccc1)Nc1ncnc(Cl)c1-c1ccccc1
InChIInChI=1S/C17H15ClN4O2S/c18-16-15(14-9-5-2-6-10-14)17(20-12-19-16)22-25(23,24)21-11-13-7-3-1-4-8-13/h1-10,12,21H,11H2,(H,19,20,22)
InChIKeyIKNPAUPVMCLDLD-UHFFFAOYSA-N
XLogP3.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine?
The IUPAC name of N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine (CID 21041385) is N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine?
The canonical SMILES for N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine is O=S(=O)(NCc1ccccc1)Nc1ncnc(Cl)c1-c1ccccc1.
What is the InChIKey of N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine?
The InChIKey is IKNPAUPVMCLDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c18-16-15(14-9-5-2-6-10-14)17(20-12-19-16)22-25(23,24)21-11-13-7-3-1-4-8-13/h1-10,12,21H,11H2,(H,19,20,22).
What are the key properties of N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine?
N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine has a molecular weight of 374.85 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine is sourced from PubChem (CID 21041385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).