4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

C19H19ClF3N3O5S — CID 55932771

IUPAC4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(=O)NCC(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C19H19ClF3N3O5S/c1-2-31-14-6-4-13(5-7-14)26-32(29,30)16-9-12(3-8-15(16)20)18(28)24-10-17(27)25-11-19(21,22)23/h3-9,26H,2,10-11H2,1H3,(H,24,28)(H,25,27)
InChIKeyLYSWIPCOCICCTR-UHFFFAOYSA-N
MW493.89 g/mol
LogP2.95
Rot. Bonds9

About 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (PubChem CID 55932771) has the molecular formula C19H19ClF3N3O5S and a molecular weight of 493.89 g/mol. Its IUPAC name is 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
PubChem CID55932771
Molecular FormulaC19H19ClF3N3O5S
Molecular Weight493.89 g/mol
Exact Mass493.07
IUPAC Name4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(=O)NCC(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C19H19ClF3N3O5S/c1-2-31-14-6-4-13(5-7-14)26-32(29,30)16-9-12(3-8-15(16)20)18(28)24-10-17(27)25-11-19(21,22)23/h3-9,26H,2,10-11H2,1H3,(H,24,28)(H,25,27)
InChIKeyLYSWIPCOCICCTR-UHFFFAOYSA-N
XLogP2.95
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.89
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 55932643
4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166561
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide
CID 24540698
5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 27555838
N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 42909894
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 55834264
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30161951
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415208
4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126387201
4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30295727
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24539573
4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 30390620

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The IUPAC name of 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (CID 55932771) is 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The canonical SMILES for 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide is CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(=O)NCC(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The InChIKey is LYSWIPCOCICCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O5S/c1-2-31-14-6-4-13(5-7-14)26-32(29,30)16-9-12(3-8-15(16)20)18(28)24-10-17(27)25-11-19(21,22)23/h3-9,26H,2,10-11H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide has a molecular weight of 493.89 g/mol, XLogP of 2.95, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide is sourced from PubChem (CID 55932771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).