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N-(benzylsulfamoyl)-2-(4-phenylpyrimidin-2-yl)ethanamine

C19H20N4O2S — CID 56867410

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(benzylsulfamoyl)-2-(4-phenylpyrimidin-2-yl)ethanamine
SMILESO=S(=O)(NCCc1nccc(-c2ccccc2)n1)NCc1ccccc1
InChIInChI=1S/C19H20N4O2S/c24-26(25,22-15-16-7-3-1-4-8-16)21-14-12-19-20-13-11-18(23-19)17-9-5-2-6-10-17/h1-11,13,21-22H,12,14-15H2
InChIKeyIBWIZTAIHLZZJO-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.31
Rot. Bonds8

About N-(benzylsulfamoyl)-2-(4-phenylpyrimidin-2-yl)ethanamine

N-(benzylsulfamoyl)-2-(4-phenylpyrimidin-2-yl)ethanamine (PubChem CID 56867410) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(benzylsulfamoyl)-2-(4-phenylpyrimidin-2-yl)ethanamine.

Molecular Properties

Compound NameN-(benzylsulfamoyl)-2-(4-phenylpyrimidin-2-yl)ethanamine
PubChem CID56867410
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(benzylsulfamoyl)-2-(4-phenylpyrimidin-2-yl)ethanamine
SMILESO=S(=O)(NCCc1nccc(-c2ccccc2)n1)NCc1ccccc1
InChIInChI=1S/C19H20N4O2S/c24-26(25,22-15-16-7-3-1-4-8-16)21-14-12-19-20-13-11-18(23-19)17-9-5-2-6-10-17/h1-11,13,21-22H,12,14-15H2
InChIKeyIBWIZTAIHLZZJO-UHFFFAOYSA-N
XLogP2.31
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzylsulfamoyl)-2-(4-phenylpyrimidin-2-yl)ethanamine?
The IUPAC name of N-(benzylsulfamoyl)-2-(4-phenylpyrimidin-2-yl)ethanamine (CID 56867410) is N-(benzylsulfamoyl)-2-(4-phenylpyrimidin-2-yl)ethanamine.
What is the SMILES notation for N-(benzylsulfamoyl)-2-(4-phenylpyrimidin-2-yl)ethanamine?
The canonical SMILES for N-(benzylsulfamoyl)-2-(4-phenylpyrimidin-2-yl)ethanamine is O=S(=O)(NCCc1nccc(-c2ccccc2)n1)NCc1ccccc1.
What is the InChIKey of N-(benzylsulfamoyl)-2-(4-phenylpyrimidin-2-yl)ethanamine?
The InChIKey is IBWIZTAIHLZZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-26(25,22-15-16-7-3-1-4-8-16)21-14-12-19-20-13-11-18(23-19)17-9-5-2-6-10-17/h1-11,13,21-22H,12,14-15H2.
What are the key properties of N-(benzylsulfamoyl)-2-(4-phenylpyrimidin-2-yl)ethanamine?
N-(benzylsulfamoyl)-2-(4-phenylpyrimidin-2-yl)ethanamine has a molecular weight of 368.46 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylsulfamoyl)-2-(4-phenylpyrimidin-2-yl)ethanamine is sourced from PubChem (CID 56867410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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