N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

C23H19ClF4N2O3S — CID 126062976

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C23H19ClF4N2O3S/c1-15-2-9-19(10-3-15)34(32,33)30(13-16-4-7-18(25)8-5-16)14-22(31)29-21-12-17(23(26,27)28)6-11-20(21)24/h2-12H,13-14H2,1H3,(H,29,31)
InChIKeyRZMSPCYSKGNFGJ-UHFFFAOYSA-N
MW514.93 g/mol
LogP5.64
Rot. Bonds7

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 126062976) has the molecular formula C23H19ClF4N2O3S and a molecular weight of 514.93 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID126062976
Molecular FormulaC23H19ClF4N2O3S
Molecular Weight514.93 g/mol
Exact Mass514.07
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C23H19ClF4N2O3S/c1-15-2-9-19(10-3-15)34(32,33)30(13-16-4-7-18(25)8-5-16)14-22(31)29-21-12-17(23(26,27)28)6-11-20(21)24/h2-12H,13-14H2,1H3,(H,29,31)
InChIKeyRZMSPCYSKGNFGJ-UHFFFAOYSA-N
XLogP5.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.93
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126011263
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)acetamide
CID 126068193
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45375126
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126012783
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126065991
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 1324652
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 987006
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100793293
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126152377
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126014071
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100793296
N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069025

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 126062976) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is RZMSPCYSKGNFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF4N2O3S/c1-15-2-9-19(10-3-15)34(32,33)30(13-16-4-7-18(25)8-5-16)14-22(31)29-21-12-17(23(26,27)28)6-11-20(21)24/h2-12H,13-14H2,1H3,(H,29,31).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 514.93 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 126062976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).