2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide

C10H13F3N2O2S — CID 120825556

IUPAC2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C10H13F3N2O2S/c1-6(14-2)5-15-18(16,17)10-4-8(12)7(11)3-9(10)13/h3-4,6,14-15H,5H2,1-2H3
InChIKeyFTXZYOKNQAFZJL-UHFFFAOYSA-N
MW282.29 g/mol
LogP0.99
Rot. Bonds5

About 2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide

2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide (PubChem CID 120825556) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide
PubChem CID120825556
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C10H13F3N2O2S/c1-6(14-2)5-15-18(16,17)10-4-8(12)7(11)3-9(10)13/h3-4,6,14-15H,5H2,1-2H3
InChIKeyFTXZYOKNQAFZJL-UHFFFAOYSA-N
XLogP0.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825289
N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide
CID 120664616
2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824947
2-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824888
5-bromo-4-fluoro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824901
2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825089
4-bromo-5-fluoro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825030
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824589
2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824623
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
methyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate
CID 120825283
5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825383

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide (CID 120825556) is 2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide is CNC(C)CNS(=O)(=O)c1cc(F)c(F)cc1F.
What is the InChIKey of 2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide?
The InChIKey is FTXZYOKNQAFZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-6(14-2)5-15-18(16,17)10-4-8(12)7(11)3-9(10)13/h3-4,6,14-15H,5H2,1-2H3.
What are the key properties of 2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide?
2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide has a molecular weight of 282.29 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 120825556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).