N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide

C20H19N3O3S — CID 109060879

IUPACN-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccccn3)cc2)cc1
InChIInChI=1S/C20H19N3O3S/c1-15-5-9-17(10-6-15)23-20(24)16-7-11-19(12-8-16)27(25,26)22-14-18-4-2-3-13-21-18/h2-13,22H,14H2,1H3,(H,23,24)
InChIKeyPKQNVQCRZADZSM-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.12
Rot. Bonds6

About N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide

N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide (PubChem CID 109060879) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
PubChem CID109060879
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccccn3)cc2)cc1
InChIInChI=1S/C20H19N3O3S/c1-15-5-9-17(10-6-15)23-20(24)16-7-11-19(12-8-16)27(25,26)22-14-18-4-2-3-13-21-18/h2-13,22H,14H2,1H3,(H,23,24)
InChIKeyPKQNVQCRZADZSM-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

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Related Compounds

4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
N-(3-fluorophenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109060896
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634
N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060662
4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 40665030
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
N-[4-[(2,4,6-trimethylphenyl)methylsulfamoyl]phenyl]pyridine-2-carboxamide
CID 45111504
4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 53257044
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 109061279
4-[(4-methylphenyl)sulfanylmethyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 28635441
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide (CID 109060879) is N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccccn3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide?
The InChIKey is PKQNVQCRZADZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-15-5-9-17(10-6-15)23-20(24)16-7-11-19(12-8-16)27(25,26)22-14-18-4-2-3-13-21-18/h2-13,22H,14H2,1H3,(H,23,24).
What are the key properties of N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide?
N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)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 N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109060879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).