2-ethoxy-N,N-dimethyl-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide

C17H19F3N2O5S2 — CID 24502196

IUPAC2-ethoxy-N,N-dimethyl-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H19F3N2O5S2/c1-4-27-15-9-8-13(11-16(15)29(25,26)22(2)3)21-28(23,24)14-7-5-6-12(10-14)17(18,19)20/h5-11,21H,4H2,1-3H3
InChIKeyOJIATZVKKOKAKU-UHFFFAOYSA-N
MW452.48 g/mol
LogP3.16
Rot. Bonds7

About 2-ethoxy-N,N-dimethyl-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide

2-ethoxy-N,N-dimethyl-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide (PubChem CID 24502196) has the molecular formula C17H19F3N2O5S2 and a molecular weight of 452.48 g/mol. Its IUPAC name is 2-ethoxy-N,N-dimethyl-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N,N-dimethyl-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
PubChem CID24502196
Molecular FormulaC17H19F3N2O5S2
Molecular Weight452.48 g/mol
Exact Mass452.07
IUPAC Name2-ethoxy-N,N-dimethyl-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H19F3N2O5S2/c1-4-27-15-9-8-13(11-16(15)29(25,26)22(2)3)21-28(23,24)14-7-5-6-12(10-14)17(18,19)20/h5-11,21H,4H2,1-3H3
InChIKeyOJIATZVKKOKAKU-UHFFFAOYSA-N
XLogP3.16
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,N-dimethyl-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of 2-ethoxy-N,N-dimethyl-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide (CID 24502196) is 2-ethoxy-N,N-dimethyl-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N,N-dimethyl-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for 2-ethoxy-N,N-dimethyl-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-ethoxy-N,N-dimethyl-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is OJIATZVKKOKAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O5S2/c1-4-27-15-9-8-13(11-16(15)29(25,26)22(2)3)21-28(23,24)14-7-5-6-12(10-14)17(18,19)20/h5-11,21H,4H2,1-3H3.
What are the key properties of 2-ethoxy-N,N-dimethyl-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
2-ethoxy-N,N-dimethyl-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide has a molecular weight of 452.48 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,N-dimethyl-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 24502196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).