2-(3,4-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

C18H14Cl2N4O3S — CID 2463040

IUPAC2-(3,4-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C18H14Cl2N4O3S/c19-15-7-2-12(10-16(15)20)11-17(25)23-13-3-5-14(6-4-13)28(26,27)24-18-21-8-1-9-22-18/h1-10H,11H2,(H,23,25)(H,21,22,24)
InChIKeyGNFZDYWIAHMXPL-UHFFFAOYSA-N
MW437.31 g/mol
LogP3.77
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

2-(3,4-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 2463040) has the molecular formula C18H14Cl2N4O3S and a molecular weight of 437.31 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID2463040
Molecular FormulaC18H14Cl2N4O3S
Molecular Weight437.31 g/mol
Exact Mass436.02
IUPAC Name2-(3,4-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C18H14Cl2N4O3S/c19-15-7-2-12(10-16(15)20)11-17(25)23-13-3-5-14(6-4-13)28(26,27)24-18-21-8-1-9-22-18/h1-10H,11H2,(H,23,25)(H,21,22,24)
InChIKeyGNFZDYWIAHMXPL-UHFFFAOYSA-N
XLogP3.77
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.31
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (CID 2463040) is 2-(3,4-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is GNFZDYWIAHMXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O3S/c19-15-7-2-12(10-16(15)20)11-17(25)23-13-3-5-14(6-4-13)28(26,27)24-18-21-8-1-9-22-18/h1-10H,11H2,(H,23,25)(H,21,22,24).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
2-(3,4-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 437.31 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2463040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).