2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide

C22H19BrClFN2O3S — CID 43872024

IUPAC2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19BrClFN2O3S/c1-15-2-9-19(25)12-21(15)26-22(28)14-27(13-16-3-5-17(23)6-4-16)31(29,30)20-10-7-18(24)8-11-20/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeyQKTFRHWLCJEKMR-UHFFFAOYSA-N
MW525.83 g/mol
LogP5.38
Rot. Bonds7

About 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide

2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 43872024) has the molecular formula C22H19BrClFN2O3S and a molecular weight of 525.83 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID43872024
Molecular FormulaC22H19BrClFN2O3S
Molecular Weight525.83 g/mol
Exact Mass524.00
IUPAC Name2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19BrClFN2O3S/c1-15-2-9-19(25)12-21(15)26-22(28)14-27(13-16-3-5-17(23)6-4-16)31(29,30)20-10-7-18(24)8-11-20/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeyQKTFRHWLCJEKMR-UHFFFAOYSA-N
XLogP5.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.83
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 28543814
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100792145
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide
CID 126065452
N-(4-bromo-2,6-dimethylphenyl)-2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide
CID 100797904
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-dichlorophenyl)acetamide
CID 126096666
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 126199806
N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069025
N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 100797673
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 126095605
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28544802
N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2990028
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100793296

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide (CID 43872024) is 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide is Cc1ccc(F)cc1NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is QKTFRHWLCJEKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrClFN2O3S/c1-15-2-9-19(25)12-21(15)26-22(28)14-27(13-16-3-5-17(23)6-4-16)31(29,30)20-10-7-18(24)8-11-20/h2-12H,13-14H2,1H3,(H,26,28).
What are the key properties of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide?
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide has a molecular weight of 525.83 g/mol, XLogP of 5.38, 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-chlorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 43872024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).