2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide

C22H19BrF2N2O3S — CID 126086350

IUPAC2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C22H19BrF2N2O3S/c1-15-5-11-18(12-6-15)31(29,30)27(13-16-7-9-17(23)10-8-16)14-21(28)26-22-19(24)3-2-4-20(22)25/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeyHHMZSDQZUBUWTG-UHFFFAOYSA-N
MW509.37 g/mol
LogP4.87
Rot. Bonds7

About 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide

2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide (PubChem CID 126086350) has the molecular formula C22H19BrF2N2O3S and a molecular weight of 509.37 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide
PubChem CID126086350
Molecular FormulaC22H19BrF2N2O3S
Molecular Weight509.37 g/mol
Exact Mass508.03
IUPAC Name2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C22H19BrF2N2O3S/c1-15-5-11-18(12-6-15)31(29,30)27(13-16-7-9-17(23)10-8-16)14-21(28)26-22-19(24)3-2-4-20(22)25/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeyHHMZSDQZUBUWTG-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

2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide
CID 126099420
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 126081673
N-(4-bromo-2,6-diethylphenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100797939
N-(4-acetamidophenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126083352
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 126090029
N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069025
N-(4-bromo-2,6-diethylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100797999
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide
CID 126325627
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 126085501
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 126017983
N-(4-bromo-2,6-dimethylphenyl)-2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide
CID 100797904
N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 30233542

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide (CID 126086350) is 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide?
The InChIKey is HHMZSDQZUBUWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrF2N2O3S/c1-15-5-11-18(12-6-15)31(29,30)27(13-16-7-9-17(23)10-8-16)14-21(28)26-22-19(24)3-2-4-20(22)25/h2-12H,13-14H2,1H3,(H,26,28).
What are the key properties of 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide?
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)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 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 126086350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).