4-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide

C20H19N3O4S — CID 24979215

IUPAC4-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C20H19N3O4S/c1-23(18-5-3-4-6-19(18)27-2)28(25,26)17-9-7-15(8-10-17)20(24)22-16-11-13-21-14-12-16/h3-14H,1-2H3,(H,21,22,24)
InChIKeyPHIMSESOHDBVAP-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.17
Rot. Bonds6

About 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide

4-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide (PubChem CID 24979215) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide
PubChem CID24979215
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name4-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C20H19N3O4S/c1-23(18-5-3-4-6-19(18)27-2)28(25,26)17-9-7-15(8-10-17)20(24)22-16-11-13-21-14-12-16/h3-14H,1-2H3,(H,21,22,24)
InChIKeyPHIMSESOHDBVAP-UHFFFAOYSA-N
XLogP3.17
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide (CID 24979215) is 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide?
The InChIKey is PHIMSESOHDBVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-23(18-5-3-4-6-19(18)27-2)28(25,26)17-9-7-15(8-10-17)20(24)22-16-11-13-21-14-12-16/h3-14H,1-2H3,(H,21,22,24).
What are the key properties of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide?
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide has a molecular weight of 397.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 24979215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).