2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide

C22H15Cl3F4N2O3S — CID 43871984

IUPAC2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C22H15Cl3F4N2O3S/c23-13-4-7-15(8-5-13)35(33,34)31(11-16-18(24)2-1-3-19(16)25)12-21(32)30-14-6-9-20(26)17(10-14)22(27,28)29/h1-10H,11-12H2,(H,30,32)
InChIKeyNRQZTJAAVVRYNW-UHFFFAOYSA-N
MW569.79 g/mol
LogP6.63
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide

2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 43871984) has the molecular formula C22H15Cl3F4N2O3S and a molecular weight of 569.79 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID43871984
Molecular FormulaC22H15Cl3F4N2O3S
Molecular Weight569.79 g/mol
Exact Mass567.98
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C22H15Cl3F4N2O3S/c23-13-4-7-15(8-5-13)35(33,34)31(11-16-18(24)2-1-3-19(16)25)12-21(32)30-14-6-9-20(26)17(10-14)22(27,28)29/h1-10H,11-12H2,(H,30,32)
InChIKeyNRQZTJAAVVRYNW-UHFFFAOYSA-N
XLogP6.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.79
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(3-methylsulfanylphenyl)acetamide
CID 126061916
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126010565
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126014071
N-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126012010
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 43872007
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126063234
2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 126013510
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126210472
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126064719
N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide
CID 126062385
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 1284016
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide
CID 126332352

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide (CID 43871984) is 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide is O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NRQZTJAAVVRYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3F4N2O3S/c23-13-4-7-15(8-5-13)35(33,34)31(11-16-18(24)2-1-3-19(16)25)12-21(32)30-14-6-9-20(26)17(10-14)22(27,28)29/h1-10H,11-12H2,(H,30,32).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 569.79 g/mol, XLogP of 6.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 43871984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).