N-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide

C15H11BrF3NO4S — CID 20815752

IUPACN-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)cc1
InChIInChI=1S/C15H11BrF3NO4S/c1-9(21)10-2-5-12(6-3-10)20-25(22,23)14-7-4-11(16)8-13(14)24-15(17,18)19/h2-8,20H,1H3
InChIKeyQGAXCXVGHHAVBP-UHFFFAOYSA-N
MW438.22 g/mol
LogP4.35
Rot. Bonds5

About N-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide

N-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 20815752) has the molecular formula C15H11BrF3NO4S and a molecular weight of 438.22 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID20815752
Molecular FormulaC15H11BrF3NO4S
Molecular Weight438.22 g/mol
Exact Mass436.95
IUPAC NameN-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)cc1
InChIInChI=1S/C15H11BrF3NO4S/c1-9(21)10-2-5-12(6-3-10)20-25(22,23)14-7-4-11(16)8-13(14)24-15(17,18)19/h2-8,20H,1H3
InChIKeyQGAXCXVGHHAVBP-UHFFFAOYSA-N
XLogP4.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.22
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(4-butanoylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 5220861
4-bromo-N-(4-propan-2-yloxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3442411
4-bromo-N-(3,5-dimethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3740454
N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 7510419
2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-2-methylpropanamide
CID 141430379
4-bromo-N-(2-tert-butylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3861912
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid
CID 18274848
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389
N-methyl-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 3715374
4-bromo-2-(trifluoromethoxy)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 3855771
4-bromo-N-(2,2-dimethoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3866448
4-bromo-N-(3-hydroxy-2,2-dimethylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3768511

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide (CID 20815752) is N-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is QGAXCXVGHHAVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3NO4S/c1-9(21)10-2-5-12(6-3-10)20-25(22,23)14-7-4-11(16)8-13(14)24-15(17,18)19/h2-8,20H,1H3.
What are the key properties of N-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide?
N-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 438.22 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 20815752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).