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

C18H19BrCl2N2O4S — CID 17095347

IUPAC2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1
InChIInChI=1S/C18H19BrCl2N2O4S/c1-18(2,3)23-28(25,26)13-6-4-12(5-7-13)22-16(24)10-27-17-14(19)8-11(20)9-15(17)21/h4-9,23H,10H2,1-3H3,(H,22,24)
InChIKeyCHDAMCZLGSEITK-UHFFFAOYSA-N
MW510.24 g/mol
LogP4.85
Rot. Bonds6

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

2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide (PubChem CID 17095347) has the molecular formula C18H19BrCl2N2O4S and a molecular weight of 510.24 g/mol. Its IUPAC name is 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
PubChem CID17095347
Molecular FormulaC18H19BrCl2N2O4S
Molecular Weight510.24 g/mol
Exact Mass507.96
IUPAC Name2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1
InChIInChI=1S/C18H19BrCl2N2O4S/c1-18(2,3)23-28(25,26)13-6-4-12(5-7-13)22-16(24)10-27-17-14(19)8-11(20)9-15(17)21/h4-9,23H,10H2,1-3H3,(H,22,24)
InChIKeyCHDAMCZLGSEITK-UHFFFAOYSA-N
XLogP4.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.24
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17095349
N-[4-(tert-butylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 4693583
N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 17202569
2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 17095271
2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
CID 1015592
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
CID 17188894
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 17095423
[2-(4-bromoanilino)-2-oxoethyl] 4-(tert-butylsulfamoyl)benzoate
CID 31656164
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
N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093244
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 19628023

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide (CID 17095347) is 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide is CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide?
The InChIKey is CHDAMCZLGSEITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrCl2N2O4S/c1-18(2,3)23-28(25,26)13-6-4-12(5-7-13)22-16(24)10-27-17-14(19)8-11(20)9-15(17)21/h4-9,23H,10H2,1-3H3,(H,22,24).
What are the key properties of 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide?
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide has a molecular weight of 510.24 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 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-(tert-butylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 17095347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).