2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide

C18H18BrF3N2O4S — CID 38259281

IUPAC2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C18H18BrF3N2O4S/c1-17(2,3)24-29(26,27)13-7-8-15(19)14(10-13)16(25)23-11-5-4-6-12(9-11)28-18(20,21)22/h4-10,24H,1-3H3,(H,23,25)
InChIKeyYZRCLKFPYZNKSI-UHFFFAOYSA-N
MW495.32 g/mol
LogP4.68
Rot. Bonds5

About 2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide

2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide (PubChem CID 38259281) has the molecular formula C18H18BrF3N2O4S and a molecular weight of 495.32 g/mol. Its IUPAC name is 2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
PubChem CID38259281
Molecular FormulaC18H18BrF3N2O4S
Molecular Weight495.32 g/mol
Exact Mass494.01
IUPAC Name2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C18H18BrF3N2O4S/c1-17(2,3)24-29(26,27)13-7-8-15(19)14(10-13)16(25)23-11-5-4-6-12(9-11)28-18(20,21)22/h4-10,24H,1-3H3,(H,23,25)
InChIKeyYZRCLKFPYZNKSI-UHFFFAOYSA-N
XLogP4.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.32
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide
CID 26579182
2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 32896855
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38034927
2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 9341633
N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 46102118
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38034888
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38032669
4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide
CID 25445720
2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
5-fluoro-2-hydroxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 155535033

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide (CID 38259281) is 2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide is CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is YZRCLKFPYZNKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrF3N2O4S/c1-17(2,3)24-29(26,27)13-7-8-15(19)14(10-13)16(25)23-11-5-4-6-12(9-11)28-18(20,21)22/h4-10,24H,1-3H3,(H,23,25).
What are the key properties of 2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide?
2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 495.32 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 38259281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).