N-[2-(dimethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide

C13H15F3N4O3S — CID 71230913

IUPACN-[2-(dimethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H15F3N4O3S/c1-20(2)8-7-17-24(21,22)10-5-3-9(4-6-10)11-18-12(23-19-11)13(14,15)16/h3-6,17H,7-8H2,1-2H3
InChIKeyJBJFEZGKJXAMHI-UHFFFAOYSA-N
MW364.35 g/mol
LogP1.60
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide

N-[2-(dimethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 71230913) has the molecular formula C13H15F3N4O3S and a molecular weight of 364.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
PubChem CID71230913
Molecular FormulaC13H15F3N4O3S
Molecular Weight364.35 g/mol
Exact Mass364.08
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H15F3N4O3S/c1-20(2)8-7-17-24(21,22)10-5-3-9(4-6-10)11-18-12(23-19-11)13(14,15)16/h3-6,17H,7-8H2,1-2H3
InChIKeyJBJFEZGKJXAMHI-UHFFFAOYSA-N
XLogP1.60
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (CID 71230913) is N-[2-(dimethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is CN(C)CCNS(=O)(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The InChIKey is JBJFEZGKJXAMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O3S/c1-20(2)8-7-17-24(21,22)10-5-3-9(4-6-10)11-18-12(23-19-11)13(14,15)16/h3-6,17H,7-8H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
N-[2-(dimethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 364.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 71230913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).