N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide

C11H15F3N2O3S — CID 43605972

IUPACN-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESCNCCCNS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H15F3N2O3S/c1-15-7-4-8-16-20(17,18)10-6-3-2-5-9(10)19-11(12,13)14/h2-3,5-6,15-16H,4,7-8H2,1H3
InChIKeyRJQJPEHSUCLADI-UHFFFAOYSA-N
MW312.31 g/mol
LogP1.47
Rot. Bonds7

About N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide

N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 43605972) has the molecular formula C11H15F3N2O3S and a molecular weight of 312.31 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID43605972
Molecular FormulaC11H15F3N2O3S
Molecular Weight312.31 g/mol
Exact Mass312.08
IUPAC NameN-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESCNCCCNS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H15F3N2O3S/c1-15-7-4-8-16-20(17,18)10-6-3-2-5-9(10)19-11(12,13)14/h2-3,5-6,15-16H,4,7-8H2,1H3
InChIKeyRJQJPEHSUCLADI-UHFFFAOYSA-N
XLogP1.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid
CID 43242362
N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 43502048
N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 63731279
N,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 47062308
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide
CID 60713586
N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide
CID 31816943
N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 31068795
N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119965033
propan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate
CID 3689825
N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 112808737
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide (CID 43605972) is N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide is CNCCCNS(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is RJQJPEHSUCLADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S/c1-15-7-4-8-16-20(17,18)10-6-3-2-5-9(10)19-11(12,13)14/h2-3,5-6,15-16H,4,7-8H2,1H3.
What are the key properties of N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 312.31 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 43605972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).