2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide

C21H15Cl2F3N2O3S — CID 28544429

IUPAC2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C21H15Cl2F3N2O3S/c22-14-6-7-15(23)18(10-14)32(30,31)28(11-13-4-2-1-3-5-13)12-19(29)27-17-9-8-16(24)20(25)21(17)26/h1-10H,11-12H2,(H,27,29)
InChIKeyBWHBEHWBVJSIRW-UHFFFAOYSA-N
MW503.33 g/mol
LogP5.24
Rot. Bonds7

About 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 28544429) has the molecular formula C21H15Cl2F3N2O3S and a molecular weight of 503.33 g/mol. Its IUPAC name is 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID28544429
Molecular FormulaC21H15Cl2F3N2O3S
Molecular Weight503.33 g/mol
Exact Mass502.01
IUPAC Name2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C21H15Cl2F3N2O3S/c22-14-6-7-15(23)18(10-14)32(30,31)28(11-13-4-2-1-3-5-13)12-19(29)27-17-9-8-16(24)20(25)21(17)26/h1-10H,11-12H2,(H,27,29)
InChIKeyBWHBEHWBVJSIRW-UHFFFAOYSA-N
XLogP5.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.33
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide 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

2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
CID 1334485
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2290702
N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide
CID 126012482
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 124538005
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100791732
N-(2,5-dichlorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126016543
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-cyclopentylacetamide
CID 988036
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28544802
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28546584
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 126392917
2-[(2-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7937851
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4969009

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 28544429) is 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is BWHBEHWBVJSIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2F3N2O3S/c22-14-6-7-15(23)18(10-14)32(30,31)28(11-13-4-2-1-3-5-13)12-19(29)27-17-9-8-16(24)20(25)21(17)26/h1-10H,11-12H2,(H,27,29).
What are the key properties of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 503.33 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 28544429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).