N-(3-methoxyphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide

C20H19N3O4S — CID 24761984

IUPACN-(3-methoxyphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccnc3)cc2)c1
InChIInChI=1S/C20H19N3O4S/c1-27-18-6-2-5-17(12-18)23-20(24)16-7-9-19(10-8-16)28(25,26)22-14-15-4-3-11-21-13-15/h2-13,22H,14H2,1H3,(H,23,24)
InChIKeyRLEIYAQXWFKGBJ-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.82
Rot. Bonds7

About N-(3-methoxyphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide

N-(3-methoxyphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide (PubChem CID 24761984) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
PubChem CID24761984
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-(3-methoxyphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccnc3)cc2)c1
InChIInChI=1S/C20H19N3O4S/c1-27-18-6-2-5-17(12-18)23-20(24)16-7-9-19(10-8-16)28(25,26)22-14-15-4-3-11-21-13-15/h2-13,22H,14H2,1H3,(H,23,24)
InChIKeyRLEIYAQXWFKGBJ-UHFFFAOYSA-N
XLogP2.82
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(3-methoxyphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide (CID 24761984) is N-(3-methoxyphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide is COc1cccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccnc3)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
The InChIKey is RLEIYAQXWFKGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-27-18-6-2-5-17(12-18)23-20(24)16-7-9-19(10-8-16)28(25,26)22-14-15-4-3-11-21-13-15/h2-13,22H,14H2,1H3,(H,23,24).
What are the key properties of N-(3-methoxyphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
N-(3-methoxyphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide has a molecular weight of 397.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 24761984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).