[2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propyl]-dimethylazanium

C14H22F3N2O2S+ — CID 8716900

IUPAC[2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propyl]-dimethylazanium
SMILESC[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H21F3N2O2S/c1-13(2,10-19(3)4)9-18-22(20,21)12-8-6-5-7-11(12)14(15,16)17/h5-8,18H,9-10H2,1-4H3/p+1
InChIKeySYRRVZULBCTFMT-UHFFFAOYSA-O
MW339.40 g/mol
LogP1.15
Rot. Bonds6

About [2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propyl]-dimethylazanium

[2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propyl]-dimethylazanium (PubChem CID 8716900) has the molecular formula C14H22F3N2O2S+ and a molecular weight of 339.40 g/mol. Its IUPAC name is [2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propyl]-dimethylazanium.

Molecular Properties

Compound Name[2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propyl]-dimethylazanium
PubChem CID8716900
Molecular FormulaC14H22F3N2O2S+
Molecular Weight339.40 g/mol
Exact Mass339.13
IUPAC Name[2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propyl]-dimethylazanium
SMILESC[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H21F3N2O2S/c1-13(2,10-19(3)4)9-18-22(20,21)12-8-6-5-7-11(12)14(15,16)17/h5-8,18H,9-10H2,1-4H3/p+1
InChIKeySYRRVZULBCTFMT-UHFFFAOYSA-O
XLogP1.15
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,2-dimethylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 106145755
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
3-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 81067049
N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 64911010
N-(2-hydroxy-3-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 115754908
N-(3-bromobutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 113271815
N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 113271978
N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide
CID 22719674
2-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537599
N-[2-(2-hydroxypropylamino)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 104593954
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 114694184
2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 104936834

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propyl]-dimethylazanium?
The IUPAC name of [2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propyl]-dimethylazanium (CID 8716900) is [2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propyl]-dimethylazanium.
What is the SMILES notation for [2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propyl]-dimethylazanium?
The canonical SMILES for [2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propyl]-dimethylazanium is C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of [2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propyl]-dimethylazanium?
The InChIKey is SYRRVZULBCTFMT-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21F3N2O2S/c1-13(2,10-19(3)4)9-18-22(20,21)12-8-6-5-7-11(12)14(15,16)17/h5-8,18H,9-10H2,1-4H3/p+1.
What are the key properties of [2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propyl]-dimethylazanium?
[2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propyl]-dimethylazanium has a molecular weight of 339.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propyl]-dimethylazanium is sourced from PubChem (CID 8716900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).