2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide

C22H20ClN3O5S — CID 1326869

IUPAC2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClN3O5S/c1-16-5-11-21(12-6-16)32(30,31)25(14-17-7-9-18(23)10-8-17)15-22(27)24-19-3-2-4-20(13-19)26(28)29/h2-13H,14-15H2,1H3,(H,24,27)
InChIKeyVMMIYPICNYDWKB-UHFFFAOYSA-N
MW473.94 g/mol
LogP4.39
Rot. Bonds8

About 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide

2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide (PubChem CID 1326869) has the molecular formula C22H20ClN3O5S and a molecular weight of 473.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide
PubChem CID1326869
Molecular FormulaC22H20ClN3O5S
Molecular Weight473.94 g/mol
Exact Mass473.08
IUPAC Name2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClN3O5S/c1-16-5-11-21(12-6-16)32(30,31)25(14-17-7-9-18(23)10-8-17)15-22(27)24-19-3-2-4-20(13-19)26(28)29/h2-13H,14-15H2,1H3,(H,24,27)
InChIKeyVMMIYPICNYDWKB-UHFFFAOYSA-N
XLogP4.39
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.94
LogP ≤ 54.39
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-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide (CID 1326869) is 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide?
The InChIKey is VMMIYPICNYDWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O5S/c1-16-5-11-21(12-6-16)32(30,31)25(14-17-7-9-18(23)10-8-17)15-22(27)24-19-3-2-4-20(13-19)26(28)29/h2-13H,14-15H2,1H3,(H,24,27).
What are the key properties of 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide?
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide has a molecular weight of 473.94 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 1326869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).