N-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide

C11H15F3N2O2S — CID 103643821

IUPACN-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H15F3N2O2S/c1-19(17,18)16-4-2-3-15-7-8-5-9(12)11(14)10(13)6-8/h5-6,15-16H,2-4,7H2,1H3
InChIKeyGNPXYONYYNOJAS-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.13
Rot. Bonds7

About N-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide

N-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide (PubChem CID 103643821) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is N-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide
PubChem CID103643821
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC NameN-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H15F3N2O2S/c1-19(17,18)16-4-2-3-15-7-8-5-9(12)11(14)10(13)6-8/h5-6,15-16H,2-4,7H2,1H3
InChIKeyGNPXYONYYNOJAS-UHFFFAOYSA-N
XLogP1.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide 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

N-[2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]ethyl]methanesulfonamide
CID 79831323
3-[(3,4,5-trifluorophenyl)methylamino]propane-1-sulfonamide
CID 63052426
N-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 28731622
N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide
CID 103611752
N-[3-[(4-cyano-2,6-difluorophenyl)methylamino]propyl]methanesulfonamide
CID 107165844
N-butyl-2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide
CID 105120214
2,6-difluoro-4-[(3-methylsulfonylpropylamino)methyl]phenol
CID 79831222
N-[3-[[3-(difluoromethyl)phenyl]methylamino]propyl]methanesulfonamide
CID 106333003
N-[3-[(4-trimethylsilylphenyl)methylamino]propyl]methanesulfonamide
CID 106336342
N-[3-(1H-pyrrol-3-ylmethylamino)propyl]methanesulfonamide
CID 115686088
N-[3-[(5-bromo-3-pyridinyl)methylamino]propyl]methanesulfonamide
CID 104856887
N-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide
CID 103611732

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide (CID 103643821) is N-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide is CS(=O)(=O)NCCCNCc1cc(F)c(F)c(F)c1.
What is the InChIKey of N-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide?
The InChIKey is GNPXYONYYNOJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-19(17,18)16-4-2-3-15-7-8-5-9(12)11(14)10(13)6-8/h5-6,15-16H,2-4,7H2,1H3.
What are the key properties of N-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide?
N-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide has a molecular weight of 296.31 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 103643821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).