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

C15H19F3N4O3S — CID 71230711

IUPACN-[3-(dimethylamino)propyl]-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESCN(C)CCCN(C)S(=O)(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H19F3N4O3S/c1-21(2)9-4-10-22(3)26(23,24)12-7-5-11(6-8-12)13-19-14(25-20-13)15(16,17)18/h5-8H,4,9-10H2,1-3H3
InChIKeyHETPZWLRRXRTRS-UHFFFAOYSA-N
MW392.40 g/mol
LogP2.33
Rot. Bonds7

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

N-[3-(dimethylamino)propyl]-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 71230711) has the molecular formula C15H19F3N4O3S and a molecular weight of 392.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
PubChem CID71230711
Molecular FormulaC15H19F3N4O3S
Molecular Weight392.40 g/mol
Exact Mass392.11
IUPAC NameN-[3-(dimethylamino)propyl]-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESCN(C)CCCN(C)S(=O)(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H19F3N4O3S/c1-21(2)9-4-10-22(3)26(23,24)12-7-5-11(6-8-12)13-19-14(25-20-13)15(16,17)18/h5-8H,4,9-10H2,1-3H3
InChIKeyHETPZWLRRXRTRS-UHFFFAOYSA-N
XLogP2.33
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[3-(dimethylamino)propyl]-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (CID 71230711) is N-[3-(dimethylamino)propyl]-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is CN(C)CCCN(C)S(=O)(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The InChIKey is HETPZWLRRXRTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O3S/c1-21(2)9-4-10-22(3)26(23,24)12-7-5-11(6-8-12)13-19-14(25-20-13)15(16,17)18/h5-8H,4,9-10H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
N-[3-(dimethylamino)propyl]-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 392.40 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 71230711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).