4-methyl-3-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide

C20H19N3O3S — CID 1249567

IUPAC4-methyl-3-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C20H19N3O3S/c1-15-9-10-17(20(24)22-14-16-6-5-11-21-13-16)12-19(15)27(25,26)23-18-7-3-2-4-8-18/h2-13,23H,14H2,1H3,(H,22,24)
InChIKeyQSTPVDWSYWYVCY-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.12
Rot. Bonds6

About 4-methyl-3-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide

4-methyl-3-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 1249567) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-methyl-3-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methyl-3-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID1249567
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name4-methyl-3-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C20H19N3O3S/c1-15-9-10-17(20(24)22-14-16-6-5-11-21-13-16)12-19(15)27(25,26)23-18-7-3-2-4-8-18/h2-13,23H,14H2,1H3,(H,22,24)
InChIKeyQSTPVDWSYWYVCY-UHFFFAOYSA-N
XLogP3.12
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)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 4-methyl-3-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-methyl-3-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide (CID 1249567) is 4-methyl-3-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-methyl-3-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-methyl-3-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-3-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is QSTPVDWSYWYVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-15-9-10-17(20(24)22-14-16-6-5-11-21-13-16)12-19(15)27(25,26)23-18-7-3-2-4-8-18/h2-13,23H,14H2,1H3,(H,22,24).
What are the key properties of 4-methyl-3-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide?
4-methyl-3-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 381.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 1249567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).