N-(1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

C17H12F3N3O3S2 — CID 2376546

IUPACN-(1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESO=C(Nc1nccs1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H12F3N3O3S2/c18-17(19,20)12-4-2-5-13(10-12)23-28(25,26)14-6-1-3-11(9-14)15(24)22-16-21-7-8-27-16/h1-10,23H,(H,21,22,24)
InChIKeyOTTRBMZMOSLREL-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.22
Rot. Bonds5

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

N-(1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (PubChem CID 2376546) has the molecular formula C17H12F3N3O3S2 and a molecular weight of 427.43 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
PubChem CID2376546
Molecular FormulaC17H12F3N3O3S2
Molecular Weight427.43 g/mol
Exact Mass427.03
IUPAC NameN-(1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESO=C(Nc1nccs1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H12F3N3O3S2/c18-17(19,20)12-4-2-5-13(10-12)23-28(25,26)14-6-1-3-11(9-14)15(24)22-16-21-7-8-27-16/h1-10,23H,(H,21,22,24)
InChIKeyOTTRBMZMOSLREL-UHFFFAOYSA-N
XLogP4.22
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2344834
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
3-(cyclopentylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 166188646
N-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 33101820
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 37064206
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 27257413
3-[(2,5-dichlorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17477065
N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 24538181
3-(dimethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 4030304
3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 8762521
3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2084455
3-[(3,3-dimethylbutanoylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 24541072

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (CID 2376546) is N-(1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is O=C(Nc1nccs1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is OTTRBMZMOSLREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3S2/c18-17(19,20)12-4-2-5-13(10-12)23-28(25,26)14-6-1-3-11(9-14)15(24)22-16-21-7-8-27-16/h1-10,23H,(H,21,22,24).
What are the key properties of N-(1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
N-(1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide has a molecular weight of 427.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 2376546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).