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

C17H14N4O3S — CID 1084460

IUPACN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1
InChIInChI=1S/C17H14N4O3S/c22-16(13-5-2-1-3-6-13)20-14-7-9-15(10-8-14)25(23,24)21-17-18-11-4-12-19-17/h1-12H,(H,20,22)(H,18,19,21)
InChIKeyAAFWBBJBFBIFPB-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.53
Rot. Bonds5

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

N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 1084460) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID1084460
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1
InChIInChI=1S/C17H14N4O3S/c22-16(13-5-2-1-3-6-13)20-14-7-9-15(10-8-14)25(23,24)21-17-18-11-4-12-19-17/h1-12H,(H,20,22)(H,18,19,21)
InChIKeyAAFWBBJBFBIFPB-UHFFFAOYSA-N
XLogP2.53
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (CID 1084460) is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is AAFWBBJBFBIFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c22-16(13-5-2-1-3-6-13)20-14-7-9-15(10-8-14)25(23,24)21-17-18-11-4-12-19-17/h1-12H,(H,20,22)(H,18,19,21).
What are the key properties of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 354.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1084460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).