2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide

C22H21N3O5S — CID 126262288

IUPAC2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C22H21N3O5S/c1-15-8-12-18(13-9-15)31(29,30)24(3)21-7-5-4-6-19(21)22(26)23-20-14-17(25(27)28)11-10-16(20)2/h4-14H,1-3H3,(H,23,26)
InChIKeyJXWRJQKNEQROGI-UHFFFAOYSA-N
MW439.49 g/mol
LogP4.29
Rot. Bonds6

About 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide

2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide (PubChem CID 126262288) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide
PubChem CID126262288
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C22H21N3O5S/c1-15-8-12-18(13-9-15)31(29,30)24(3)21-7-5-4-6-19(21)22(26)23-20-14-17(25(27)28)11-10-16(20)2/h4-14H,1-3H3,(H,23,26)
InChIKeyJXWRJQKNEQROGI-UHFFFAOYSA-N
XLogP4.29
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide
CID 18144899
2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 30951453
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 21380353
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126353526
2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide
CID 78794488
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126353986
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-nitrophenyl)benzamide
CID 1314113
3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
CID 22238135
2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid
CID 2813889
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614
2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 951596
N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 27055363

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide?
The IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide (CID 126262288) is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide.
What is the SMILES notation for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide?
The canonical SMILES for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1.
What is the InChIKey of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide?
The InChIKey is JXWRJQKNEQROGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c1-15-8-12-18(13-9-15)31(29,30)24(3)21-7-5-4-6-19(21)22(26)23-20-14-17(25(27)28)11-10-16(20)2/h4-14H,1-3H3,(H,23,26).
What are the key properties of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide?
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide has a molecular weight of 439.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide is sourced from PubChem (CID 126262288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).