3-[4-(dimethylsulfamoyl)phenyl]-2-hydroxy-5-pyridin-4-ylbenzamide

C20H19N3O4S — CID 135401952

IUPAC3-[4-(dimethylsulfamoyl)phenyl]-2-hydroxy-5-pyridin-4-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2cc(-c3ccncc3)cc(C(N)=O)c2O)cc1
InChIInChI=1S/C20H19N3O4S/c1-23(2)28(26,27)16-5-3-14(4-6-16)17-11-15(13-7-9-22-10-8-13)12-18(19(17)24)20(21)25/h3-12,24H,1-2H3,(H2,21,25)
InChIKeyLJXXHNWVEAZKJI-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.47
Rot. Bonds5

About 3-[4-(dimethylsulfamoyl)phenyl]-2-hydroxy-5-pyridin-4-ylbenzamide

3-[4-(dimethylsulfamoyl)phenyl]-2-hydroxy-5-pyridin-4-ylbenzamide (PubChem CID 135401952) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 3-[4-(dimethylsulfamoyl)phenyl]-2-hydroxy-5-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-[4-(dimethylsulfamoyl)phenyl]-2-hydroxy-5-pyridin-4-ylbenzamide
PubChem CID135401952
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name3-[4-(dimethylsulfamoyl)phenyl]-2-hydroxy-5-pyridin-4-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2cc(-c3ccncc3)cc(C(N)=O)c2O)cc1
InChIInChI=1S/C20H19N3O4S/c1-23(2)28(26,27)16-5-3-14(4-6-16)17-11-15(13-7-9-22-10-8-13)12-18(19(17)24)20(21)25/h3-12,24H,1-2H3,(H2,21,25)
InChIKeyLJXXHNWVEAZKJI-UHFFFAOYSA-N
XLogP2.47
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylsulfamoyl)phenyl]-2-hydroxy-5-pyridin-4-ylbenzamide?
The IUPAC name of 3-[4-(dimethylsulfamoyl)phenyl]-2-hydroxy-5-pyridin-4-ylbenzamide (CID 135401952) is 3-[4-(dimethylsulfamoyl)phenyl]-2-hydroxy-5-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-[4-(dimethylsulfamoyl)phenyl]-2-hydroxy-5-pyridin-4-ylbenzamide?
The canonical SMILES for 3-[4-(dimethylsulfamoyl)phenyl]-2-hydroxy-5-pyridin-4-ylbenzamide is CN(C)S(=O)(=O)c1ccc(-c2cc(-c3ccncc3)cc(C(N)=O)c2O)cc1.
What is the InChIKey of 3-[4-(dimethylsulfamoyl)phenyl]-2-hydroxy-5-pyridin-4-ylbenzamide?
The InChIKey is LJXXHNWVEAZKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-23(2)28(26,27)16-5-3-14(4-6-16)17-11-15(13-7-9-22-10-8-13)12-18(19(17)24)20(21)25/h3-12,24H,1-2H3,(H2,21,25).
What are the key properties of 3-[4-(dimethylsulfamoyl)phenyl]-2-hydroxy-5-pyridin-4-ylbenzamide?
3-[4-(dimethylsulfamoyl)phenyl]-2-hydroxy-5-pyridin-4-ylbenzamide has a molecular weight of 397.46 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylsulfamoyl)phenyl]-2-hydroxy-5-pyridin-4-ylbenzamide is sourced from PubChem (CID 135401952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).