2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide

C23H19Cl2F3N2O3S2 — CID 51343778

IUPAC2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
SMILESO=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C23H19Cl2F3N2O3S2/c24-16-6-9-18(10-7-16)34-13-12-29-22(31)15-30(35(32,33)19-4-2-1-3-5-19)17-8-11-21(25)20(14-17)23(26,27)28/h1-11,14H,12-13,15H2,(H,29,31)
InChIKeyCUTKJSVSUVFKFB-UHFFFAOYSA-N
MW563.45 g/mol
LogP6.12
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide

2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide (PubChem CID 51343778) has the molecular formula C23H19Cl2F3N2O3S2 and a molecular weight of 563.45 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
PubChem CID51343778
Molecular FormulaC23H19Cl2F3N2O3S2
Molecular Weight563.45 g/mol
Exact Mass562.02
IUPAC Name2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
SMILESO=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C23H19Cl2F3N2O3S2/c24-16-6-9-18(10-7-16)34-13-12-29-22(31)15-30(35(32,33)19-4-2-1-3-5-19)17-8-11-21(25)20(14-17)23(26,27)28/h1-11,14H,12-13,15H2,(H,29,31)
InChIKeyCUTKJSVSUVFKFB-UHFFFAOYSA-N
XLogP6.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.45
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
CID 51343359
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
CID 51343251
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2176573
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 51343725
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]acetamide
CID 43893195
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 2267149
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 51343792
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide
CID 43902138
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 126131340
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30242190
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43902134
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(2-phenylphenyl)acetamide
CID 126134173

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide (CID 51343778) is 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide is O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCSc1ccc(Cl)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide?
The InChIKey is CUTKJSVSUVFKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F3N2O3S2/c24-16-6-9-18(10-7-16)34-13-12-29-22(31)15-30(35(32,33)19-4-2-1-3-5-19)17-8-11-21(25)20(14-17)23(26,27)28/h1-11,14H,12-13,15H2,(H,29,31).
What are the key properties of 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide?
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide has a molecular weight of 563.45 g/mol, XLogP of 6.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 51343778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).