N-dodecyl-3-(trifluoromethyl)benzenesulfonamide

C19H30F3NO2S — CID 23358572

IUPACN-dodecyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCCCCCCCCCCNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H30F3NO2S/c1-2-3-4-5-6-7-8-9-10-11-15-23-26(24,25)18-14-12-13-17(16-18)19(20,21)22/h12-14,16,23H,2-11,15H2,1H3
InChIKeyAGWMFEILKFBMRU-UHFFFAOYSA-N
MW393.52 g/mol
LogP5.90
Rot. Bonds13

About N-dodecyl-3-(trifluoromethyl)benzenesulfonamide

N-dodecyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 23358572) has the molecular formula C19H30F3NO2S and a molecular weight of 393.52 g/mol. Its IUPAC name is N-dodecyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-dodecyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID23358572
Molecular FormulaC19H30F3NO2S
Molecular Weight393.52 g/mol
Exact Mass393.19
IUPAC NameN-dodecyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCCCCCCCCCCNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H30F3NO2S/c1-2-3-4-5-6-7-8-9-10-11-15-23-26(24,25)18-14-12-13-17(16-18)19(20,21)22/h12-14,16,23H,2-11,15H2,1H3
InChIKeyAGWMFEILKFBMRU-UHFFFAOYSA-N
XLogP5.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.52
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-octyl-3-(trifluoromethyl)benzenesulfonamide
CID 67803477
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-dodecyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-dodecyl-3-(trifluoromethyl)benzenesulfonamide (CID 23358572) is N-dodecyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-dodecyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-dodecyl-3-(trifluoromethyl)benzenesulfonamide is CCCCCCCCCCCCNS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-dodecyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AGWMFEILKFBMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F3NO2S/c1-2-3-4-5-6-7-8-9-10-11-15-23-26(24,25)18-14-12-13-17(16-18)19(20,21)22/h12-14,16,23H,2-11,15H2,1H3.
What are the key properties of N-dodecyl-3-(trifluoromethyl)benzenesulfonamide?
N-dodecyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 393.52 g/mol, XLogP of 5.90, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 23358572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).