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

C21H21N3O4S — CID 24982798

IUPAC3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccncc2)ccc1C
InChIInChI=1S/C21H21N3O4S/c1-15-7-8-17(21(25)23-14-16-9-11-22-12-10-16)13-20(15)29(26,27)24-18-5-3-4-6-19(18)28-2/h3-13,24H,14H2,1-2H3,(H,23,25)
InChIKeyRGKPBFMOZOKSQN-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.13
Rot. Bonds7

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

3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 24982798) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(pyridin-4-ylmethyl)benzamide
PubChem CID24982798
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccncc2)ccc1C
InChIInChI=1S/C21H21N3O4S/c1-15-7-8-17(21(25)23-14-16-9-11-22-12-10-16)13-20(15)29(26,27)24-18-5-3-4-6-19(18)28-2/h3-13,24H,14H2,1-2H3,(H,23,25)
InChIKeyRGKPBFMOZOKSQN-UHFFFAOYSA-N
XLogP3.13
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(pyridin-4-ylmethyl)benzamide (CID 24982798) is 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(pyridin-4-ylmethyl)benzamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccncc2)ccc1C.
What is the InChIKey of 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is RGKPBFMOZOKSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-15-7-8-17(21(25)23-14-16-9-11-22-12-10-16)13-20(15)29(26,27)24-18-5-3-4-6-19(18)28-2/h3-13,24H,14H2,1-2H3,(H,23,25).
What are the key properties of 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(pyridin-4-ylmethyl)benzamide?
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 411.48 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 24982798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).