2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide

C21H21N3O6S2 — CID 58924134

IUPAC2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide
SMILESCOc1cncc(NS(=O)(=O)c2ccccc2C(=O)NCc2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C21H21N3O6S2/c1-30-17-11-16(13-22-14-17)24-32(28,29)20-6-4-3-5-19(20)21(25)23-12-15-7-9-18(10-8-15)31(2,26)27/h3-11,13-14,24H,12H2,1-2H3,(H,23,25)
InChIKeyVQIZOYAAKPTIBA-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.22
Rot. Bonds8

About 2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide

2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide (PubChem CID 58924134) has the molecular formula C21H21N3O6S2 and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide
PubChem CID58924134
Molecular FormulaC21H21N3O6S2
Molecular Weight475.55 g/mol
Exact Mass475.09
IUPAC Name2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide
SMILESCOc1cncc(NS(=O)(=O)c2ccccc2C(=O)NCc2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C21H21N3O6S2/c1-30-17-11-16(13-22-14-17)24-32(28,29)20-6-4-3-5-19(20)21(25)23-12-15-7-9-18(10-8-15)31(2,26)27/h3-11,13-14,24H,12H2,1-2H3,(H,23,25)
InChIKeyVQIZOYAAKPTIBA-UHFFFAOYSA-N
XLogP2.22
TPSA131.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924121
N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924260
N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924237
N-[(2,3-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924343
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-(2-methylbutyl)benzamide
CID 58924307
N-[2-(2-chlorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924321
N-ethyl-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-propylbenzamide
CID 58924348
N-[2-(2,5-difluorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924145
N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 7959595
N-(2-hydroxyethyl)-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 58924202
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-methyl-N-(2-phenoxyethyl)benzamide
CID 58924319
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924259

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide?
The IUPAC name of 2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide (CID 58924134) is 2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide.
What is the SMILES notation for 2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide?
The canonical SMILES for 2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide is COc1cncc(NS(=O)(=O)c2ccccc2C(=O)NCc2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of 2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide?
The InChIKey is VQIZOYAAKPTIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O6S2/c1-30-17-11-16(13-22-14-17)24-32(28,29)20-6-4-3-5-19(20)21(25)23-12-15-7-9-18(10-8-15)31(2,26)27/h3-11,13-14,24H,12H2,1-2H3,(H,23,25).
What are the key properties of 2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide?
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide has a molecular weight of 475.55 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide is sourced from PubChem (CID 58924134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).