N-(5-methyl-1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide

C18H14F3N3O3S2 — CID 25475831

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESCc1cnc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C18H14F3N3O3S2/c1-11-10-22-17(28-11)23-16(25)14-7-2-3-8-15(14)24-29(26,27)13-6-4-5-12(9-13)18(19,20)21/h2-10,24H,1H3,(H,22,23,25)
InChIKeyYOLIGOYXYFICFW-UHFFFAOYSA-N
MW441.46 g/mol
LogP4.52
Rot. Bonds5

About N-(5-methyl-1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide

N-(5-methyl-1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide (PubChem CID 25475831) has the molecular formula C18H14F3N3O3S2 and a molecular weight of 441.46 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
PubChem CID25475831
Molecular FormulaC18H14F3N3O3S2
Molecular Weight441.46 g/mol
Exact Mass441.04
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESCc1cnc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C18H14F3N3O3S2/c1-11-10-22-17(28-11)23-16(25)14-7-2-3-8-15(14)24-29(26,27)13-6-4-5-12(9-13)18(19,20)21/h2-10,24H,1H3,(H,22,23,25)
InChIKeyYOLIGOYXYFICFW-UHFFFAOYSA-N
XLogP4.52
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-methyl-1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide (CID 25475831) is N-(5-methyl-1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide is Cc1cnc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The InChIKey is YOLIGOYXYFICFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3S2/c1-11-10-22-17(28-11)23-16(25)14-7-2-3-8-15(14)24-29(26,27)13-6-4-5-12(9-13)18(19,20)21/h2-10,24H,1H3,(H,22,23,25).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide has a molecular weight of 441.46 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 25475831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).