N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide

C22H22N2O3S — CID 109061714

IUPACN-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3c(C)cccc3C)cc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-15-7-11-19(12-8-15)24-28(26,27)20-13-9-18(10-14-20)22(25)23-21-16(2)5-4-6-17(21)3/h4-14,24H,1-3H3,(H,23,25)
InChIKeyUPSFMCJSZFPVCB-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.66
Rot. Bonds5

About N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide

N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 109061714) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID109061714
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3c(C)cccc3C)cc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-15-7-11-19(12-8-15)24-28(26,27)20-13-9-18(10-14-20)22(25)23-21-16(2)5-4-6-17(21)3/h4-14,24H,1-3H3,(H,23,25)
InChIKeyUPSFMCJSZFPVCB-UHFFFAOYSA-N
XLogP4.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 112770779
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 2725735
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 9414091
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3918199
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 126415995

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide (CID 109061714) is N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3c(C)cccc3C)cc2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is UPSFMCJSZFPVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-15-7-11-19(12-8-15)24-28(26,27)20-13-9-18(10-14-20)22(25)23-21-16(2)5-4-6-17(21)3/h4-14,24H,1-3H3,(H,23,25).
What are the key properties of N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide?
N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 394.50 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109061714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).