3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide

C18H19F3N2O3S — CID 8762521

IUPAC3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H19F3N2O3S/c1-17(2,3)23-27(25,26)15-9-4-6-12(10-15)16(24)22-14-8-5-7-13(11-14)18(19,20)21/h4-11,23H,1-3H3,(H,22,24)
InChIKeyFRKHPHJSSRZLJG-UHFFFAOYSA-N
MW400.42 g/mol
LogP4.03
Rot. Bonds4

About 3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide

3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 8762521) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID8762521
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H19F3N2O3S/c1-17(2,3)23-27(25,26)15-9-4-6-12(10-15)16(24)22-14-8-5-7-13(11-14)18(19,20)21/h4-11,23H,1-3H3,(H,22,24)
InChIKeyFRKHPHJSSRZLJG-UHFFFAOYSA-N
XLogP4.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride
CID 16788394
3-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666414
3-[methyl(phenyl)sulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3284690
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 9096794
4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide
CID 25445720
N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 39736173
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087855
N-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 33101820
3-(tert-butylsulfamoyl)-N-[3-(dimethylamino)-5-fluorophenyl]benzamide
CID 167966426

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 8762521) is 3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide is CC(C)(C)NS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FRKHPHJSSRZLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-17(2,3)23-27(25,26)15-9-4-6-12(10-15)16(24)22-14-8-5-7-13(11-14)18(19,20)21/h4-11,23H,1-3H3,(H,22,24).
What are the key properties of 3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 400.42 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 8762521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).