2-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

C17H13BrN4O3S — CID 1084464

IUPAC2-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1Br
InChIInChI=1S/C17H13BrN4O3S/c18-15-5-2-1-4-14(15)16(23)21-12-6-8-13(9-7-12)26(24,25)22-17-19-10-3-11-20-17/h1-11H,(H,21,23)(H,19,20,22)
InChIKeyAFDJHXIOALGLQB-UHFFFAOYSA-N
MW433.29 g/mol
LogP3.29
Rot. Bonds5

About 2-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

2-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 1084464) has the molecular formula C17H13BrN4O3S and a molecular weight of 433.29 g/mol. Its IUPAC name is 2-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID1084464
Molecular FormulaC17H13BrN4O3S
Molecular Weight433.29 g/mol
Exact Mass431.99
IUPAC Name2-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1Br
InChIInChI=1S/C17H13BrN4O3S/c18-15-5-2-1-4-14(15)16(23)21-12-6-8-13(9-7-12)26(24,25)22-17-19-10-3-11-20-17/h1-11H,(H,21,23)(H,19,20,22)
InChIKeyAFDJHXIOALGLQB-UHFFFAOYSA-N
XLogP3.29
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.29
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (CID 1084464) is 2-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is AFDJHXIOALGLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O3S/c18-15-5-2-1-4-14(15)16(23)21-12-6-8-13(9-7-12)26(24,25)22-17-19-10-3-11-20-17/h1-11H,(H,21,23)(H,19,20,22).
What are the key properties of 2-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
2-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 433.29 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1084464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).