2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C19H20F3N3O4S — CID 55492050

IUPAC2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C19H20F3N3O4S/c1-12(2)25-30(28,29)14-9-7-13(8-10-14)17(26)24-16-6-4-3-5-15(16)18(27)23-11-19(20,21)22/h3-10,12,25H,11H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyNJCFXAOIPARDLP-UHFFFAOYSA-N
MW443.45 g/mol
LogP2.92
Rot. Bonds7

About 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55492050) has the molecular formula C19H20F3N3O4S and a molecular weight of 443.45 g/mol. Its IUPAC name is 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55492050
Molecular FormulaC19H20F3N3O4S
Molecular Weight443.45 g/mol
Exact Mass443.11
IUPAC Name2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C19H20F3N3O4S/c1-12(2)25-30(28,29)14-9-7-13(8-10-14)17(26)24-16-6-4-3-5-15(16)18(27)23-11-19(20,21)22/h3-10,12,25H,11H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyNJCFXAOIPARDLP-UHFFFAOYSA-N
XLogP2.92
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 17426970
N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 16592625
2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46543355
N-(2-fluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 24592548
N-ethyl-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 35304004
N-(3-amino-3-oxopropyl)-2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 56572924
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide
CID 29477109
2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46451358
4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 31578755
3-[[4-(propan-2-ylsulfamoyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55879590
4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8817212

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 55492050) is 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is NJCFXAOIPARDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O4S/c1-12(2)25-30(28,29)14-9-7-13(8-10-14)17(26)24-16-6-4-3-5-15(16)18(27)23-11-19(20,21)22/h3-10,12,25H,11H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 443.45 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55492050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).