N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide

C21H21N3O3S — CID 109060984

IUPACN-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)NCc3ccncc3)cc2)c1
InChIInChI=1S/C21H21N3O3S/c1-15-3-4-16(2)20(13-15)24-21(25)18-5-7-19(8-6-18)28(26,27)23-14-17-9-11-22-12-10-17/h3-13,23H,14H2,1-2H3,(H,24,25)
InChIKeyWOCRLLGZUYITRM-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.43
Rot. Bonds6

About N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide

N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide (PubChem CID 109060984) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
PubChem CID109060984
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)NCc3ccncc3)cc2)c1
InChIInChI=1S/C21H21N3O3S/c1-15-3-4-16(2)20(13-15)24-21(25)18-5-7-19(8-6-18)28(26,27)23-14-17-9-11-22-12-10-17/h3-13,23H,14H2,1-2H3,(H,24,25)
InChIKeyWOCRLLGZUYITRM-UHFFFAOYSA-N
XLogP3.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060998
4-chloro-N-[2-fluoro-4-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide
CID 18892602
N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3476916
N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109059702
1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048101
N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060995
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 55965254
4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide
CID 109060594
N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060662
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide
CID 38267137
N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109058441
N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061283

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide (CID 109060984) is N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide is Cc1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)NCc3ccncc3)cc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
The InChIKey is WOCRLLGZUYITRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-15-3-4-16(2)20(13-15)24-21(25)18-5-7-19(8-6-18)28(26,27)23-14-17-9-11-22-12-10-17/h3-13,23H,14H2,1-2H3,(H,24,25).
What are the key properties of N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109060984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).