5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide

C15H21F3N2O3S — CID 55675449

IUPAC5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(C)CC(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O3S/c1-5-20(6-2)24(22,23)12-8-7-11(3)13(9-12)14(21)19(4)10-15(16,17)18/h7-9H,5-6,10H2,1-4H3
InChIKeyIDNGZADVCQDWOO-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.66
Rot. Bonds6

About 5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide

5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55675449) has the molecular formula C15H21F3N2O3S and a molecular weight of 366.41 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55675449
Molecular FormulaC15H21F3N2O3S
Molecular Weight366.41 g/mol
Exact Mass366.12
IUPAC Name5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(C)CC(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O3S/c1-5-20(6-2)24(22,23)12-8-7-11(3)13(9-12)14(21)19(4)10-15(16,17)18/h7-9H,5-6,10H2,1-4H3
InChIKeyIDNGZADVCQDWOO-UHFFFAOYSA-N
XLogP2.66
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279
5-(diethylsulfamoyl)-2-methylbenzoyl chloride
CID 15639076
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 86933981
5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid
CID 43263312
4-bromo-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 54941900
2-fluoro-N,3-dimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81480170
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide
CID 38394548
5-(diethylsulfamoyl)-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 86998664
N,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62046315
3-fluoro-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483804
5-(diethylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55408377

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide (CID 55675449) is 5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(C)CC(F)(F)F)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is IDNGZADVCQDWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O3S/c1-5-20(6-2)24(22,23)12-8-7-11(3)13(9-12)14(21)19(4)10-15(16,17)18/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide?
5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 366.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55675449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).