2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

C23H19Cl2F3N2O3S — CID 126063234

IUPAC2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C23H19Cl2F3N2O3S/c1-15-5-8-19(9-6-15)34(32,33)30(13-16-3-2-4-17(24)11-16)14-22(31)29-18-7-10-21(25)20(12-18)23(26,27)28/h2-12H,13-14H2,1H3,(H,29,31)
InChIKeyOIBHCEULESGZLO-UHFFFAOYSA-N
MW531.38 g/mol
LogP6.15
Rot. Bonds7

About 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 126063234) has the molecular formula C23H19Cl2F3N2O3S and a molecular weight of 531.38 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID126063234
Molecular FormulaC23H19Cl2F3N2O3S
Molecular Weight531.38 g/mol
Exact Mass530.04
IUPAC Name2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C23H19Cl2F3N2O3S/c1-15-5-8-19(9-6-15)34(32,33)30(13-16-3-2-4-17(24)11-16)14-22(31)29-18-7-10-21(25)20(12-18)23(26,27)28/h2-12H,13-14H2,1H3,(H,29,31)
InChIKeyOIBHCEULESGZLO-UHFFFAOYSA-N
XLogP6.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.38
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126010565
N-(3-chloro-4-methylphenyl)-2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide
CID 126065992
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126064719
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 124538005
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 51344097
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126072956
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344429
ethyl 2-[4-[[2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate
CID 100793540
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 126062120
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 23824740
N-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126012010
N-(3,5-dichlorophenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069194

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 126063234) is 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Cc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OIBHCEULESGZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F3N2O3S/c1-15-5-8-19(9-6-15)34(32,33)30(13-16-3-2-4-17(24)11-16)14-22(31)29-18-7-10-21(25)20(12-18)23(26,27)28/h2-12H,13-14H2,1H3,(H,29,31).
What are the key properties of 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 531.38 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 126063234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).