N-octyl-3-(trifluoromethyl)benzenesulfonamide

C15H22F3NO2S — CID 67803477

IUPACN-octyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3NO2S/c1-2-3-4-5-6-7-11-19-22(20,21)14-10-8-9-13(12-14)15(16,17)18/h8-10,12,19H,2-7,11H2,1H3
InChIKeyBWSLVYUGDLZRAR-UHFFFAOYSA-N
MW337.41 g/mol
LogP4.34
Rot. Bonds9

About N-octyl-3-(trifluoromethyl)benzenesulfonamide

N-octyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 67803477) has the molecular formula C15H22F3NO2S and a molecular weight of 337.41 g/mol. Its IUPAC name is N-octyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-octyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID67803477
Molecular FormulaC15H22F3NO2S
Molecular Weight337.41 g/mol
Exact Mass337.13
IUPAC NameN-octyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3NO2S/c1-2-3-4-5-6-7-11-19-22(20,21)14-10-8-9-13(12-14)15(16,17)18/h8-10,12,19H,2-7,11H2,1H3
InChIKeyBWSLVYUGDLZRAR-UHFFFAOYSA-N
XLogP4.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-octyl-3-(trifluoromethyl)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

N-dodecyl-3-(trifluoromethyl)benzenesulfonamide
CID 23358572
N-(4-azidobutyl)-3-(trifluoromethyl)benzenesulfonamide
CID 106387073
3-bromo-N-hexylbenzenesulfonamide
CID 31481292
N-[2-[bis[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethyl]amino]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11029080
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride
CID 81358830
N-tridecylbenzenesulfonamide
CID 3514704
N-(3-bromobutyl)-3-(trifluoromethyl)benzenesulfonamide
CID 113271804
N-(cyanomethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3780840
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 62667844
tetrabutylazanium;3-(trifluoromethyl)benzenesulfonate
CID 87416588
3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide
CID 43507340

Frequently Asked Questions

What is the IUPAC name of N-octyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-octyl-3-(trifluoromethyl)benzenesulfonamide (CID 67803477) is N-octyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-octyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-octyl-3-(trifluoromethyl)benzenesulfonamide is CCCCCCCCNS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-octyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BWSLVYUGDLZRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2S/c1-2-3-4-5-6-7-11-19-22(20,21)14-10-8-9-13(12-14)15(16,17)18/h8-10,12,19H,2-7,11H2,1H3.
What are the key properties of N-octyl-3-(trifluoromethyl)benzenesulfonamide?
N-octyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 337.41 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 67803477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).