2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

C21H15BrClF3N2O3S — CID 51343377

IUPAC2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C21H15BrClF3N2O3S/c22-14-6-9-16(10-7-14)28(32(30,31)17-4-2-1-3-5-17)13-20(29)27-15-8-11-19(23)18(12-15)21(24,25)26/h1-12H,13H2,(H,27,29)
InChIKeyZHZWYQRYAIYOCK-UHFFFAOYSA-N
MW547.78 g/mol
LogP5.96
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 51343377) has the molecular formula C21H15BrClF3N2O3S and a molecular weight of 547.78 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID51343377
Molecular FormulaC21H15BrClF3N2O3S
Molecular Weight547.78 g/mol
Exact Mass545.96
IUPAC Name2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C21H15BrClF3N2O3S/c22-14-6-9-16(10-7-14)28(32(30,31)17-4-2-1-3-5-17)13-20(29)27-15-8-11-19(23)18(12-15)21(24,25)26/h1-12H,13H2,(H,27,29)
InChIKeyZHZWYQRYAIYOCK-UHFFFAOYSA-N
XLogP5.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.78
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 126131340
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1337093
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 51344097
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1339520
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126210472
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881923
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509438
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(4-bromophenyl)acetamide
CID 30170255
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344429
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126411792
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 51343792
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344242

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 51343377) is 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZHZWYQRYAIYOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrClF3N2O3S/c22-14-6-9-16(10-7-14)28(32(30,31)17-4-2-1-3-5-17)13-20(29)27-15-8-11-19(23)18(12-15)21(24,25)26/h1-12H,13H2,(H,27,29).
What are the key properties of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 547.78 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 51343377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).