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

C20H19N3O4S — CID 9117856

IUPAC4-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C20H19N3O4S/c1-27-19-5-3-2-4-18(19)23-28(25,26)17-8-6-16(7-9-17)20(24)22-14-15-10-12-21-13-11-15/h2-13,23H,14H2,1H3,(H,22,24)
InChIKeyDQGHOYFRWKVSOR-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.82
Rot. Bonds7

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

4-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 9117856) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID9117856
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name4-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C20H19N3O4S/c1-27-19-5-3-2-4-18(19)23-28(25,26)17-8-6-16(7-9-17)20(24)22-14-15-10-12-21-13-11-15/h2-13,23H,14H2,1H3,(H,22,24)
InChIKeyDQGHOYFRWKVSOR-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 4-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (CID 9117856) is 4-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2ccncc2)cc1.
What is the InChIKey of 4-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is DQGHOYFRWKVSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-27-19-5-3-2-4-18(19)23-28(25,26)17-8-6-16(7-9-17)20(24)22-14-15-10-12-21-13-11-15/h2-13,23H,14H2,1H3,(H,22,24).
What are the key properties of 4-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
4-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-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 4-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 9117856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).