2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)acetamide

C22H18Cl3FN2O3S — CID 126068193

IUPAC2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C22H18Cl3FN2O3S/c1-14-2-8-17(9-3-14)32(30,31)28(12-15-4-6-16(26)7-5-15)13-22(29)27-21-11-19(24)18(23)10-20(21)25/h2-11H,12-13H2,1H3,(H,27,29)
InChIKeyILSKYXHNIYTZRZ-UHFFFAOYSA-N
MW515.82 g/mol
LogP5.92
Rot. Bonds7

About 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)acetamide

2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 126068193) has the molecular formula C22H18Cl3FN2O3S and a molecular weight of 515.82 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID126068193
Molecular FormulaC22H18Cl3FN2O3S
Molecular Weight515.82 g/mol
Exact Mass514.01
IUPAC Name2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C22H18Cl3FN2O3S/c1-14-2-8-17(9-3-14)32(30,31)28(12-15-4-6-16(26)7-5-15)13-22(29)27-21-11-19(24)18(23)10-20(21)25/h2-11H,12-13H2,1H3,(H,27,29)
InChIKeyILSKYXHNIYTZRZ-UHFFFAOYSA-N
XLogP5.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.82
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126062976
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126065991
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 1324652
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 987006
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100793296
N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069025
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 4255094
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100793293
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
CID 126062395
N-[(4-fluorophenyl)methyl]-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 126072480
N-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 30233514
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100792145

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)acetamide (CID 126068193) is 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is ILSKYXHNIYTZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl3FN2O3S/c1-14-2-8-17(9-3-14)32(30,31)28(12-15-4-6-16(26)7-5-15)13-22(29)27-21-11-19(24)18(23)10-20(21)25/h2-11H,12-13H2,1H3,(H,27,29).
What are the key properties of 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)acetamide?
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 515.82 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 126068193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).