2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide

C17H15Cl2F3N2O4S — CID 2695420

IUPAC2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccccc1N(CC(=O)NCC(F)(F)F)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2F3N2O4S/c1-28-15-5-3-2-4-14(15)24(9-16(25)23-10-17(20,21)22)29(26,27)11-6-7-12(18)13(19)8-11/h2-8H,9-10H2,1H3,(H,23,25)
InChIKeyGQIXAPSVEVSLHZ-UHFFFAOYSA-N
MW471.28 g/mol
LogP3.88
Rot. Bonds7

About 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide

2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2695420) has the molecular formula C17H15Cl2F3N2O4S and a molecular weight of 471.28 g/mol. Its IUPAC name is 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2695420
Molecular FormulaC17H15Cl2F3N2O4S
Molecular Weight471.28 g/mol
Exact Mass470.01
IUPAC Name2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccccc1N(CC(=O)NCC(F)(F)F)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2F3N2O4S/c1-28-15-5-3-2-4-14(15)24(9-16(25)23-10-17(20,21)22)29(26,27)11-6-7-12(18)13(19)8-11/h2-8H,9-10H2,1H3,(H,23,25)
InChIKeyGQIXAPSVEVSLHZ-UHFFFAOYSA-N
XLogP3.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)acetamide
CID 42977229
N-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide
CID 30232771
methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
CID 50894816
N-[(3-chlorophenyl)methyl]-2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetamide
CID 2695409
methyl 2-(2-chloro-N-(3-chloro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100510771
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 3139097
N-(2-chloro-4-methylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide
CID 52891332
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1336294
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide
CID 1310802
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2695403
methyl 2-(3-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)acetate
CID 50895551
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide
CID 126143488

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide (CID 2695420) is 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide is COc1ccccc1N(CC(=O)NCC(F)(F)F)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GQIXAPSVEVSLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F3N2O4S/c1-28-15-5-3-2-4-14(15)24(9-16(25)23-10-17(20,21)22)29(26,27)11-6-7-12(18)13(19)8-11/h2-8H,9-10H2,1H3,(H,23,25).
What are the key properties of 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 471.28 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2695420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).