4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide

C12H15F3N2O3S — CID 51098722

IUPAC4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C12H15F3N2O3S/c1-2-7-17(8-12(13,14)15)21(19,20)10-5-3-9(4-6-10)11(16)18/h3-6H,2,7-8H2,1H3,(H2,16,18)
InChIKeyKRANEZIMIXBGPM-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.75
Rot. Bonds6

About 4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide

4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide (PubChem CID 51098722) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is 4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide
PubChem CID51098722
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC Name4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C12H15F3N2O3S/c1-2-7-17(8-12(13,14)15)21(19,20)10-5-3-9(4-6-10)11(16)18/h3-6H,2,7-8H2,1H3,(H2,16,18)
InChIKeyKRANEZIMIXBGPM-UHFFFAOYSA-N
XLogP1.75
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dipropylsulfamoyl)-N-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 162401653
4-propanoyl-N,N-dipropylbenzenesulfonamide
CID 70641695
4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzamide
CID 72724687
4-[ethyl(hydroxy)sulfamoyl]benzamide
CID 91012297
4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide
CID 79652029
4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119991586
3-amino-N-butyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61105113
4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 56531024
2-[(4-methylphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258315
5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270865
4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]benzoic acid
CID 51087981
N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 17154292

Frequently Asked Questions

What is the IUPAC name of 4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide?
The IUPAC name of 4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide (CID 51098722) is 4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide?
The canonical SMILES for 4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide is CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide?
The InChIKey is KRANEZIMIXBGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-2-7-17(8-12(13,14)15)21(19,20)10-5-3-9(4-6-10)11(16)18/h3-6H,2,7-8H2,1H3,(H2,16,18).
What are the key properties of 4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide?
4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide has a molecular weight of 324.32 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide is sourced from PubChem (CID 51098722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).