4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide

C22H22N2O3S — CID 109061718

IUPAC4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C22H22N2O3S/c1-16-9-14-21(17(2)15-16)23-28(26,27)20-12-10-18(11-13-20)22(25)24(3)19-7-5-4-6-8-19/h4-15,23H,1-3H3
InChIKeySKBBKMHDKGOPBH-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.38
Rot. Bonds5

About 4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide

4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide (PubChem CID 109061718) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
PubChem CID109061718
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C22H22N2O3S/c1-16-9-14-21(17(2)15-16)23-28(26,27)20-12-10-18(11-13-20)22(25)24(3)19-7-5-4-6-8-19/h4-15,23H,1-3H3
InChIKeySKBBKMHDKGOPBH-UHFFFAOYSA-N
XLogP4.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-cyanophenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
CID 109061726
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 5140498
4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-phenylbenzamide
CID 51161114
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9227970
4-(benzenesulfonamido)-N,3-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 92671538
N,3-dimethyl-N-[(4-methylphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28570514
N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide
CID 109058037
4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061332
4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
CID 46770830
4-(benzenesulfonamido)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-methylbenzamide
CID 92684420
N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 41465640
N-[4-(benzenesulfonamido)phenyl]-4-chloro-N-methylbenzamide
CID 47784348

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide?
The IUPAC name of 4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide (CID 109061718) is 4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)c(C)c1.
What is the InChIKey of 4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide?
The InChIKey is SKBBKMHDKGOPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-16-9-14-21(17(2)15-16)23-28(26,27)20-12-10-18(11-13-20)22(25)24(3)19-7-5-4-6-8-19/h4-15,23H,1-3H3.
What are the key properties of 4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide?
4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide has a molecular weight of 394.50 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 109061718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).