N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide

C13H18F3NO3S — CID 79378419

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO3S/c1-4-17(9-12(2,3)18)21(19,20)11-7-5-6-10(8-11)13(14,15)16/h5-8,18H,4,9H2,1-3H3
InChIKeyJTTGUIVBZIAVAP-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.49
Rot. Bonds5

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 79378419) has the molecular formula C13H18F3NO3S and a molecular weight of 325.35 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID79378419
Molecular FormulaC13H18F3NO3S
Molecular Weight325.35 g/mol
Exact Mass325.10
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO3S/c1-4-17(9-12(2,3)18)21(19,20)11-7-5-6-10(8-11)13(14,15)16/h5-8,18H,4,9H2,1-3H3
InChIKeyJTTGUIVBZIAVAP-UHFFFAOYSA-N
XLogP2.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propanoylbenzenesulfonamide
CID 79379246
methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378658
3-(1-aminopropyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79378974
3-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666414
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 79380762
3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79382428
N,N-diethyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 25331420
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666437
N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 2119470
N-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 17432681
N-hydroxy-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 22907211

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide (CID 79378419) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide is CCN(CC(C)(C)O)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JTTGUIVBZIAVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3S/c1-4-17(9-12(2,3)18)21(19,20)11-7-5-6-10(8-11)13(14,15)16/h5-8,18H,4,9H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 325.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 79378419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).