N-(4-methylphenyl)-4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide

C22H19F3N2O3S — CID 984515

IUPACN-(4-methylphenyl)-4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(CNS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C22H19F3N2O3S/c1-15-5-11-19(12-6-15)27-21(28)17-9-7-16(8-10-17)14-26-31(29,30)20-4-2-3-18(13-20)22(23,24)25/h2-13,26H,14H2,1H3,(H,27,28)
InChIKeyIWGUZRFEGUIQSV-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.74
Rot. Bonds6

About N-(4-methylphenyl)-4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide

N-(4-methylphenyl)-4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide (PubChem CID 984515) has the molecular formula C22H19F3N2O3S and a molecular weight of 448.47 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
PubChem CID984515
Molecular FormulaC22H19F3N2O3S
Molecular Weight448.47 g/mol
Exact Mass448.11
IUPAC NameN-(4-methylphenyl)-4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(CNS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C22H19F3N2O3S/c1-15-5-11-19(12-6-15)27-21(28)17-9-7-16(8-10-17)14-26-31(29,30)20-4-2-3-18(13-20)22(23,24)25/h2-13,26H,14H2,1H3,(H,27,28)
InChIKeyIWGUZRFEGUIQSV-UHFFFAOYSA-N
XLogP4.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide?
The IUPAC name of N-(4-methylphenyl)-4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide (CID 984515) is N-(4-methylphenyl)-4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-(4-methylphenyl)-4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide?
The canonical SMILES for N-(4-methylphenyl)-4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide is Cc1ccc(NC(=O)c2ccc(CNS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide?
The InChIKey is IWGUZRFEGUIQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3S/c1-15-5-11-19(12-6-15)27-21(28)17-9-7-16(8-10-17)14-26-31(29,30)20-4-2-3-18(13-20)22(23,24)25/h2-13,26H,14H2,1H3,(H,27,28).
What are the key properties of N-(4-methylphenyl)-4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide?
N-(4-methylphenyl)-4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide has a molecular weight of 448.47 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide is sourced from PubChem (CID 984515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).