2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C23H19BrClF3N2O4S — CID 126123486

IUPAC2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H19BrClF3N2O4S/c1-2-34-18-8-6-17(7-9-18)30(35(32,33)19-10-4-16(24)5-11-19)14-22(31)29-21-13-15(23(26,27)28)3-12-20(21)25/h3-13H,2,14H2,1H3,(H,29,31)
InChIKeyNPLPIZCKLHXNHL-UHFFFAOYSA-N
MW591.83 g/mol
LogP6.35
Rot. Bonds8

About 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 126123486) has the molecular formula C23H19BrClF3N2O4S and a molecular weight of 591.83 g/mol. Its IUPAC name is 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID126123486
Molecular FormulaC23H19BrClF3N2O4S
Molecular Weight591.83 g/mol
Exact Mass589.99
IUPAC Name2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H19BrClF3N2O4S/c1-2-34-18-8-6-17(7-9-18)30(35(32,33)19-10-4-16(24)5-11-19)14-22(31)29-21-13-15(23(26,27)28)3-12-20(21)25/h3-13H,2,14H2,1H3,(H,29,31)
InChIKeyNPLPIZCKLHXNHL-UHFFFAOYSA-N
XLogP6.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.83
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,5-dichlorophenyl)acetamide
CID 21371868
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 43891818
N-(4-bromo-3-chlorophenyl)-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 126342108
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126141625
N-(4-bromo-2-fluorophenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126415456
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4551871
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
CID 92649043
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126152377
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30268918
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344242
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 51344971
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126123779

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 126123486) is 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is CCOc1ccc(N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NPLPIZCKLHXNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrClF3N2O4S/c1-2-34-18-8-6-17(7-9-18)30(35(32,33)19-10-4-16(24)5-11-19)14-22(31)29-21-13-15(23(26,27)28)3-12-20(21)25/h3-13H,2,14H2,1H3,(H,29,31).
What are the key properties of 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 591.83 g/mol, XLogP of 6.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 126123486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).