3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide

C20H19N3O4S — CID 9414554

IUPAC3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccccn3)c2)cc1
InChIInChI=1S/C20H19N3O4S/c1-27-18-10-8-16(9-11-18)23-28(25,26)19-7-4-5-15(13-19)20(24)22-14-17-6-2-3-12-21-17/h2-13,23H,14H2,1H3,(H,22,24)
InChIKeyMYYJNTKXTCZKSC-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.82
Rot. Bonds7

About 3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide

3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 9414554) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID9414554
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccccn3)c2)cc1
InChIInChI=1S/C20H19N3O4S/c1-27-18-10-8-16(9-11-18)23-28(25,26)19-7-4-5-15(13-19)20(24)22-14-17-6-2-3-12-21-17/h2-13,23H,14H2,1H3,(H,22,24)
InChIKeyMYYJNTKXTCZKSC-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 3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (CID 9414554) is 3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccccn3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is MYYJNTKXTCZKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-27-18-10-8-16(9-11-18)23-28(25,26)19-7-4-5-15(13-19)20(24)22-14-17-6-2-3-12-21-17/h2-13,23H,14H2,1H3,(H,22,24).
What are the key properties of 3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)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 3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 9414554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).