N-(3,4-dimethoxyphenyl)-4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzamide

C22H19F3N2O5S — CID 17469437

IUPACN-(3,4-dimethoxyphenyl)-4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(F)c3F)cc2)cc1OC
InChIInChI=1S/C22H19F3N2O5S/c1-31-17-9-7-15(11-18(17)32-2)27-22(28)14-5-3-13(4-6-14)12-26-33(29,30)19-10-8-16(23)20(24)21(19)25/h3-11,26H,12H2,1-2H3,(H,27,28)
InChIKeyZDZBWIAUDDNBIN-UHFFFAOYSA-N
MW480.46 g/mol
LogP3.85
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzamide

N-(3,4-dimethoxyphenyl)-4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzamide (PubChem CID 17469437) has the molecular formula C22H19F3N2O5S and a molecular weight of 480.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzamide
PubChem CID17469437
Molecular FormulaC22H19F3N2O5S
Molecular Weight480.46 g/mol
Exact Mass480.10
IUPAC NameN-(3,4-dimethoxyphenyl)-4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(F)c3F)cc2)cc1OC
InChIInChI=1S/C22H19F3N2O5S/c1-31-17-9-7-15(11-18(17)32-2)27-22(28)14-5-3-13(4-6-14)12-26-33(29,30)19-10-8-16(23)20(24)21(19)25/h3-11,26H,12H2,1-2H3,(H,27,28)
InChIKeyZDZBWIAUDDNBIN-UHFFFAOYSA-N
XLogP3.85
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide
CID 142928445
4-[(3,4-difluorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)benzamide
CID 27537974
N-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 31112069
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-fluoro-N-(3-methylphenyl)benzamide
CID 3435303
2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572415
3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 39395082
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide
CID 55677845
4-[(3,4-dimethoxyanilino)methyl]benzohydrazide
CID 70810026
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzamide
CID 114840048
methyl 3-[(3,4-dimethoxyphenyl)sulfamoyl]-4-fluorobenzoate
CID 47946553

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzamide (CID 17469437) is N-(3,4-dimethoxyphenyl)-4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzamide is COc1ccc(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(F)c3F)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzamide?
The InChIKey is ZDZBWIAUDDNBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O5S/c1-31-17-9-7-15(11-18(17)32-2)27-22(28)14-5-3-13(4-6-14)12-26-33(29,30)19-10-8-16(23)20(24)21(19)25/h3-11,26H,12H2,1-2H3,(H,27,28).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzamide?
N-(3,4-dimethoxyphenyl)-4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzamide has a molecular weight of 480.46 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 17469437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).