N-(2,4-dimethylphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide

C21H21N3O3S — CID 24761987

IUPACN-(2,4-dimethylphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccnc3)cc2)c(C)c1
InChIInChI=1S/C21H21N3O3S/c1-15-5-10-20(16(2)12-15)24-21(25)18-6-8-19(9-7-18)28(26,27)23-14-17-4-3-11-22-13-17/h3-13,23H,14H2,1-2H3,(H,24,25)
InChIKeyYLNOUFVPULOROP-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.43
Rot. Bonds6

About N-(2,4-dimethylphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide

N-(2,4-dimethylphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide (PubChem CID 24761987) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
PubChem CID24761987
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-(2,4-dimethylphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccnc3)cc2)c(C)c1
InChIInChI=1S/C21H21N3O3S/c1-15-5-10-20(16(2)12-15)24-21(25)18-6-8-19(9-7-18)28(26,27)23-14-17-4-3-11-22-13-17/h3-13,23H,14H2,1-2H3,(H,24,25)
InChIKeyYLNOUFVPULOROP-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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide (CID 24761987) is N-(2,4-dimethylphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccnc3)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
The InChIKey is YLNOUFVPULOROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-15-5-10-20(16(2)12-15)24-21(25)18-6-8-19(9-7-18)28(26,27)23-14-17-4-3-11-22-13-17/h3-13,23H,14H2,1-2H3,(H,24,25).
What are the key properties of N-(2,4-dimethylphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
N-(2,4-dimethylphenyl)-4-(pyridin-3-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-(2,4-dimethylphenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 24761987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).