2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3,5-dichlorophenyl)acetamide

C21H14Cl3F3N2O3S — CID 20850362

IUPAC2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1S(=O)(=O)c1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H14Cl3F3N2O3S/c22-12-4-6-16(7-5-12)33(31,32)20-17(21(25,26)27)2-1-3-18(20)28-11-19(30)29-15-9-13(23)8-14(24)10-15/h1-10,28H,11H2,(H,29,30)
InChIKeyIXSRFPGDVLOCRG-UHFFFAOYSA-N
MW537.77 g/mol
LogP6.55
Rot. Bonds6

About 2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3,5-dichlorophenyl)acetamide

2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3,5-dichlorophenyl)acetamide (PubChem CID 20850362) has the molecular formula C21H14Cl3F3N2O3S and a molecular weight of 537.77 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3,5-dichlorophenyl)acetamide
PubChem CID20850362
Molecular FormulaC21H14Cl3F3N2O3S
Molecular Weight537.77 g/mol
Exact Mass535.97
IUPAC Name2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1S(=O)(=O)c1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H14Cl3F3N2O3S/c22-12-4-6-16(7-5-12)33(31,32)20-17(21(25,26)27)2-1-3-18(20)28-11-19(30)29-15-9-13(23)8-14(24)10-15/h1-10,28H,11H2,(H,29,30)
InChIKeyIXSRFPGDVLOCRG-UHFFFAOYSA-N
XLogP6.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.77
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 20850358
2-[2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-2-ylacetamide
CID 22304717
2-[2-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 22304874
2-(2-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54810505
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
CID 109010763
2-[3-chloro-2-(4-chlorophenyl)sulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 22305203
N-(3,5-dichlorophenyl)-2-(2,6-difluoroanilino)acetamide
CID 109011204
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
CID 109008379
2-[(4-chlorophenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126151161
N-(2-chlorophenyl)-2-(3,5-dichloroanilino)acetamide
CID 26417607
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3,5-dichlorophenyl)acetamide (CID 20850362) is 2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3,5-dichlorophenyl)acetamide is O=C(CNc1cccc(C(F)(F)F)c1S(=O)(=O)c1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is IXSRFPGDVLOCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl3F3N2O3S/c22-12-4-6-16(7-5-12)33(31,32)20-17(21(25,26)27)2-1-3-18(20)28-11-19(30)29-15-9-13(23)8-14(24)10-15/h1-10,28H,11H2,(H,29,30).
What are the key properties of 2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3,5-dichlorophenyl)acetamide?
2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 537.77 g/mol, XLogP of 6.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 20850362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).