N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide

C20H19N3O4S — CID 6458062

IUPACN-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C20H19N3O4S/c1-27-19-8-7-17(28(25,26)22-14-15-9-11-21-12-10-15)13-18(19)23-20(24)16-5-3-2-4-6-16/h2-13,22H,14H2,1H3,(H,23,24)
InChIKeyCDGCMLUYVBNELK-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.82
Rot. Bonds7

About N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide

N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide (PubChem CID 6458062) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide
PubChem CID6458062
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C20H19N3O4S/c1-27-19-8-7-17(28(25,26)22-14-15-9-11-21-12-10-15)13-18(19)23-20(24)16-5-3-2-4-6-16/h2-13,22H,14H2,1H3,(H,23,24)
InChIKeyCDGCMLUYVBNELK-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

Analyze N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide?
The IUPAC name of N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide (CID 6458062) is N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide is COc1ccc(S(=O)(=O)NCc2ccncc2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide?
The InChIKey is CDGCMLUYVBNELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-27-19-8-7-17(28(25,26)22-14-15-9-11-21-12-10-15)13-18(19)23-20(24)16-5-3-2-4-6-16/h2-13,22H,14H2,1H3,(H,23,24).
What are the key properties of N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide?
N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]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-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 6458062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).