N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

C22H19BrF2N2O3S — CID 126069025

IUPACN-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2F)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C22H19BrF2N2O3S/c1-15-2-9-19(10-3-15)31(29,30)27(13-16-4-7-18(24)8-5-16)14-22(28)26-21-11-6-17(23)12-20(21)25/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeyYGNSPJPPMWFBKE-UHFFFAOYSA-N
MW509.37 g/mol
LogP4.87
Rot. Bonds7

About N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 126069025) has the molecular formula C22H19BrF2N2O3S and a molecular weight of 509.37 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID126069025
Molecular FormulaC22H19BrF2N2O3S
Molecular Weight509.37 g/mol
Exact Mass508.03
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2F)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C22H19BrF2N2O3S/c1-15-2-9-19(10-3-15)31(29,30)27(13-16-4-7-18(24)8-5-16)14-22(28)26-21-11-6-17(23)12-20(21)25/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeyYGNSPJPPMWFBKE-UHFFFAOYSA-N
XLogP4.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.37
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,6-diethylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100797999
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)acetamide
CID 126068193
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide
CID 126086350
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 43872024
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 126199806
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100793296
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 4255094
N-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 30233514
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 987006
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 1324652
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

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 126069025) is N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2F)Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is YGNSPJPPMWFBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrF2N2O3S/c1-15-2-9-19(10-3-15)31(29,30)27(13-16-4-7-18(24)8-5-16)14-22(28)26-21-11-6-17(23)12-20(21)25/h2-12H,13-14H2,1H3,(H,26,28).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 509.37 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 126069025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).