2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide

C16H15BrCl2N2O4S — CID 17095349

IUPAC2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1
InChIInChI=1S/C16H15BrCl2N2O4S/c1-21(2)26(23,24)12-5-3-11(4-6-12)20-15(22)9-25-16-13(17)7-10(18)8-14(16)19/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeySTQJCWRMJXRBHA-UHFFFAOYSA-N
MW482.18 g/mol
LogP4.02
Rot. Bonds6

About 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide

2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 17095349) has the molecular formula C16H15BrCl2N2O4S and a molecular weight of 482.18 g/mol. Its IUPAC name is 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID17095349
Molecular FormulaC16H15BrCl2N2O4S
Molecular Weight482.18 g/mol
Exact Mass479.93
IUPAC Name2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1
InChIInChI=1S/C16H15BrCl2N2O4S/c1-21(2)26(23,24)12-5-3-11(4-6-12)20-15(22)9-25-16-13(17)7-10(18)8-14(16)19/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeySTQJCWRMJXRBHA-UHFFFAOYSA-N
XLogP4.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.18
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
CID 17095347
N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 17202569
2-(2,4-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2500700
2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 17095271
2-(4-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2710578
2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2632951
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 17095423
N-[4-(dimethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 9494871
2-(4-chloro-2-nitrophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 7979740
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 4801402
N-[4-[[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbutanamide
CID 17096580
N-(4-methoxyphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7275209

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide (CID 17095349) is 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is STQJCWRMJXRBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2N2O4S/c1-21(2)26(23,24)12-5-3-11(4-6-12)20-15(22)9-25-16-13(17)7-10(18)8-14(16)19/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 482.18 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 17095349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).