3-acetyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;methyl 3-(2-methyltetrazol-5-yl)-4-(2-phenylethyl)benzoate;5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide

C105H100F12N16O17S5 — CID 158704833

IUPAC3-acetyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;methyl 3-(2-methyltetrazol-5-yl)-4-(2-phenylethyl)benzoate;5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide
SMILESCNS(=O)(=O)c1ccc(CCc2ccccc2)c(-c2cn(C)cn2)c1.CNS(=O)(=O)c1ccc(Cc2cccc(C(F)(F)F)c2)c(C(C)=O)c1.CNS(=O)(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c(-c2cn(C)cn2)c1.CNS(=O)(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c(-c2ncc(C)[nH]2)c1.CNS(=O)(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c(C(N)=O)c1.COC(=O)c1ccc(CCc2ccccc2)c(-c2nnn(C)n2)c1
InChIInChI=1S/C19H21N3O2S.2C18H16F3N3O3S.C18H18N4O2.C17H16F3NO3S.C15H13F3N2O4S/c1-20-25(23,24)17-11-10-16(9-8-15-6-4-3-5-7-15)18(12-17)19-13-22(2)14-21-19;1-22-28(25,26)14-6-7-17(15(9-14)16-10-24(2)11-23-16)27-13-5-3-4-12(8-13)18(19,20)21;1-11-10-23-17(24-11)15-9-14(28(25,26)22-2)6-7-16(15)27-13-5-3-4-12(8-13)18(19,20)21;1-22-20-17(19-21-22)16-12-15(18(23)24-2)11-10-14(16)9-8-13-6-4-3-5-7-13;1-11(22)16-10-15(25(23,24)21-2)7-6-13(16)8-12-4-3-5-14(9-12)17(18,19)20;1-20-25(22,23)11-5-6-13(12(8-11)14(19)21)24-10-4-2-3-9(7-10)15(16,17)18/h3-7,10-14,20H,8-9H2,1-2H3;3-11,22H,1-2H3;3-10,22H,1-2H3,(H,23,24);3-7,10-12H,8-9H2,1-2H3;3-7,9-10,21H,8H2,1-2H3;2-8,20H,1H3,(H2,19,21)
InChIKeyIHZFVMGQWHEYFH-UHFFFAOYSA-N
MW2246.36 g/mol
LogP19.05
Rot. Bonds31

About 3-acetyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;methyl 3-(2-methyltetrazol-5-yl)-4-(2-phenylethyl)benzoate;5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide

3-acetyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;methyl 3-(2-methyltetrazol-5-yl)-4-(2-phenylethyl)benzoate;5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide (PubChem CID 158704833) has the molecular formula C105H100F12N16O17S5 and a molecular weight of 2246.36 g/mol. Its IUPAC name is 3-acetyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;methyl 3-(2-methyltetrazol-5-yl)-4-(2-phenylethyl)benzoate;5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide.

Molecular Properties

Compound Name3-acetyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;methyl 3-(2-methyltetrazol-5-yl)-4-(2-phenylethyl)benzoate;5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide
PubChem CID158704833
Molecular FormulaC105H100F12N16O17S5
Molecular Weight2246.36 g/mol
Exact Mass2244.59
IUPAC Name3-acetyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;methyl 3-(2-methyltetrazol-5-yl)-4-(2-phenylethyl)benzoate;5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide
SMILESCNS(=O)(=O)c1ccc(CCc2ccccc2)c(-c2cn(C)cn2)c1.CNS(=O)(=O)c1ccc(Cc2cccc(C(F)(F)F)c2)c(C(C)=O)c1.CNS(=O)(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c(-c2cn(C)cn2)c1.CNS(=O)(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c(-c2ncc(C)[nH]2)c1.CNS(=O)(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c(C(N)=O)c1.COC(=O)c1ccc(CCc2ccccc2)c(-c2nnn(C)n2)c1
InChIInChI=1S/C19H21N3O2S.2C18H16F3N3O3S.C18H18N4O2.C17H16F3NO3S.C15H13F3N2O4S/c1-20-25(23,24)17-11-10-16(9-8-15-6-4-3-5-7-15)18(12-17)19-13-22(2)14-21-19;1-22-28(25,26)14-6-7-17(15(9-14)16-10-24(2)11-23-16)27-13-5-3-4-12(8-13)18(19,20)21;1-11-10-23-17(24-11)15-9-14(28(25,26)22-2)6-7-16(15)27-13-5-3-4-12(8-13)18(19,20)21;1-22-20-17(19-21-22)16-12-15(18(23)24-2)11-10-14(16)9-8-13-6-4-3-5-7-13;1-11(22)16-10-15(25(23,24)21-2)7-6-13(16)8-12-4-3-5-14(9-12)17(18,19)20;1-20-25(22,23)11-5-6-13(12(8-11)14(19)21)24-10-4-2-3-9(7-10)15(16,17)18/h3-7,10-14,20H,8-9H2,1-2H3;3-11,22H,1-2H3;3-10,22H,1-2H3,(H,23,24);3-7,10-12H,8-9H2,1-2H3;3-7,9-10,21H,8H2,1-2H3;2-8,20H,1H3,(H2,19,21)
InChIKeyIHZFVMGQWHEYFH-UHFFFAOYSA-N
XLogP19.05
TPSA452.92 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds31
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002246.36
LogP ≤ 519.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 3-acetyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;methyl 3-(2-methyltetrazol-5-yl)-4-(2-phenylethyl)benzoate;5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide with MolForge

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Related Compounds

N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 155342852
5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide
CID 155343062
5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid
CID 155342907
N,N-diethyl-3-(2-methyltetrazol-5-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 167531582
N-methyl-3-(1-methylimidazol-4-yl)-4-[[3-(trifluoromethylsulfanyl)phenyl]methyl]benzenesulfonamide
CID 158234105
3-(1-cyclopropylimidazol-4-yl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-methyl-3-(2-methyltetrazol-5-yl)-4-(4-phenylanilino)benzenesulfonamide
CID 163422069
methyl 3-(2-amino-4-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]methyl]benzoate
CID 167646102
[3-(2-methyltetrazol-5-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]boronic acid
CID 158989582
N-methyl-3-(1-methylimidazol-4-yl)-4-[(4-methylphenyl)methyl]benzenesulfonamide
CID 163534192
N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethoxy)phenyl]methylamino]benzenesulfonamide
CID 155342859
N-methyl-3-(1-methylimidazol-4-yl)-4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 163393358
N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide
CID 155342881

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;methyl 3-(2-methyltetrazol-5-yl)-4-(2-phenylethyl)benzoate;5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide?
The IUPAC name of 3-acetyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;methyl 3-(2-methyltetrazol-5-yl)-4-(2-phenylethyl)benzoate;5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide (CID 158704833) is 3-acetyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;methyl 3-(2-methyltetrazol-5-yl)-4-(2-phenylethyl)benzoate;5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide.
What is the SMILES notation for 3-acetyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;methyl 3-(2-methyltetrazol-5-yl)-4-(2-phenylethyl)benzoate;5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide?
The canonical SMILES for 3-acetyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;methyl 3-(2-methyltetrazol-5-yl)-4-(2-phenylethyl)benzoate;5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide is CNS(=O)(=O)c1ccc(CCc2ccccc2)c(-c2cn(C)cn2)c1.CNS(=O)(=O)c1ccc(Cc2cccc(C(F)(F)F)c2)c(C(C)=O)c1.CNS(=O)(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c(-c2cn(C)cn2)c1.CNS(=O)(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c(-c2ncc(C)[nH]2)c1.CNS(=O)(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c(C(N)=O)c1.COC(=O)c1ccc(CCc2ccccc2)c(-c2nnn(C)n2)c1.
What is the InChIKey of 3-acetyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;methyl 3-(2-methyltetrazol-5-yl)-4-(2-phenylethyl)benzoate;5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide?
The InChIKey is IHZFVMGQWHEYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S.2C18H16F3N3O3S.C18H18N4O2.C17H16F3NO3S.C15H13F3N2O4S/c1-20-25(23,24)17-11-10-16(9-8-15-6-4-3-5-7-15)18(12-17)19-13-22(2)14-21-19;1-22-28(25,26)14-6-7-17(15(9-14)16-10-24(2)11-23-16)27-13-5-3-4-12(8-13)18(19,20)21;1-11-10-23-17(24-11)15-9-14(28(25,26)22-2)6-7-16(15)27-13-5-3-4-12(8-13)18(19,20)21;1-22-20-17(19-21-22)16-12-15(18(23)24-2)11-10-14(16)9-8-13-6-4-3-5-7-13;1-11(22)16-10-15(25(23,24)21-2)7-6-13(16)8-12-4-3-5-14(9-12)17(18,19)20;1-20-25(22,23)11-5-6-13(12(8-11)14(19)21)24-10-4-2-3-9(7-10)15(16,17)18/h3-7,10-14,20H,8-9H2,1-2H3;3-11,22H,1-2H3;3-10,22H,1-2H3,(H,23,24);3-7,10-12H,8-9H2,1-2H3;3-7,9-10,21H,8H2,1-2H3;2-8,20H,1H3,(H2,19,21).
What are the key properties of 3-acetyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;methyl 3-(2-methyltetrazol-5-yl)-4-(2-phenylethyl)benzoate;5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide?
3-acetyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;methyl 3-(2-methyltetrazol-5-yl)-4-(2-phenylethyl)benzoate;5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide has a molecular weight of 2246.36 g/mol, XLogP of 19.05, 31 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;methyl 3-(2-methyltetrazol-5-yl)-4-(2-phenylethyl)benzoate;5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide is sourced from PubChem (CID 158704833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).