5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(morpholin-4-ylsulfonylamino)benzamide

C18H16Cl2F3N3O4S — CID 139521363

IUPAC5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(morpholin-4-ylsulfonylamino)benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(Cl)ccc1NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H16Cl2F3N3O4S/c19-12-2-4-15(25-31(28,29)26-5-7-30-8-6-26)13(10-12)17(27)24-16-3-1-11(9-14(16)20)18(21,22)23/h1-4,9-10,25H,5-8H2,(H,24,27)
InChIKeyJLFPLPGFWSLSIY-UHFFFAOYSA-N
MW498.31 g/mol
LogP4.25
Rot. Bonds5

About 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(morpholin-4-ylsulfonylamino)benzamide

5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(morpholin-4-ylsulfonylamino)benzamide (PubChem CID 139521363) has the molecular formula C18H16Cl2F3N3O4S and a molecular weight of 498.31 g/mol. Its IUPAC name is 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(morpholin-4-ylsulfonylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(morpholin-4-ylsulfonylamino)benzamide
PubChem CID139521363
Molecular FormulaC18H16Cl2F3N3O4S
Molecular Weight498.31 g/mol
Exact Mass497.02
IUPAC Name5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(morpholin-4-ylsulfonylamino)benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(Cl)ccc1NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H16Cl2F3N3O4S/c19-12-2-4-15(25-31(28,29)26-5-7-30-8-6-26)13(10-12)17(27)24-16-3-1-11(9-14(16)20)18(21,22)23/h1-4,9-10,25H,5-8H2,(H,24,27)
InChIKeyJLFPLPGFWSLSIY-UHFFFAOYSA-N
XLogP4.25
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.31
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-[[4-chloro-2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]phenyl]sulfamoyl]piperidin-4-yl]methyl]piperazine-1-carboxylic acid
CID 175725893
N-[4-chloro-2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]phenyl]oxane-4-carboxamide
CID 139512712
N-(2,4-dichlorophenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853480
5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 22495967
5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide
CID 150699502
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 163347502
2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide
CID 139521347
N-(4-chloro-2-methylphenyl)morpholine-4-sulfonamide
CID 110706024
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide
CID 9490096
3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid
CID 63189853
N-(3-chloro-2-fluorophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 26309220
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(morpholin-4-ylsulfonylamino)benzamide?
The IUPAC name of 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(morpholin-4-ylsulfonylamino)benzamide (CID 139521363) is 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(morpholin-4-ylsulfonylamino)benzamide.
What is the SMILES notation for 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(morpholin-4-ylsulfonylamino)benzamide?
The canonical SMILES for 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(morpholin-4-ylsulfonylamino)benzamide is O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(Cl)ccc1NS(=O)(=O)N1CCOCC1.
What is the InChIKey of 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(morpholin-4-ylsulfonylamino)benzamide?
The InChIKey is JLFPLPGFWSLSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F3N3O4S/c19-12-2-4-15(25-31(28,29)26-5-7-30-8-6-26)13(10-12)17(27)24-16-3-1-11(9-14(16)20)18(21,22)23/h1-4,9-10,25H,5-8H2,(H,24,27).
What are the key properties of 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(morpholin-4-ylsulfonylamino)benzamide?
5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(morpholin-4-ylsulfonylamino)benzamide has a molecular weight of 498.31 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(morpholin-4-ylsulfonylamino)benzamide is sourced from PubChem (CID 139521363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).