N-[2-(dimethylamino)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

C12H14F6N2O2S — CID 8716782

IUPACN-[2-(dimethylamino)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F6N2O2S/c1-20(2)4-3-19-23(21,22)10-6-8(11(13,14)15)5-9(7-10)12(16,17)18/h5-7,19H,3-4H2,1-2H3
InChIKeyDYKQQSOYVQCGKE-UHFFFAOYSA-N
MW364.31 g/mol
LogP2.56
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

N-[2-(dimethylamino)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 8716782) has the molecular formula C12H14F6N2O2S and a molecular weight of 364.31 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID8716782
Molecular FormulaC12H14F6N2O2S
Molecular Weight364.31 g/mol
Exact Mass364.07
IUPAC NameN-[2-(dimethylamino)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F6N2O2S/c1-20(2)4-3-19-23(21,22)10-6-8(11(13,14)15)5-9(7-10)12(16,17)18/h5-7,19H,3-4H2,1-2H3
InChIKeyDYKQQSOYVQCGKE-UHFFFAOYSA-N
XLogP2.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2804037
N-[2-[bis[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethyl]amino]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11029080
N-(2,2-dimethoxyethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3436267
N-(3-aminopropyl)-3-bromo-5-(trifluoromethyl)benzenesulfonamide
CID 119962038
3-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methylbenzenesulfonamide
CID 113306253
N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonamide;methanol
CID 171100231
3-chloro-N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 120708785
3-chloro-N-[3-(methylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide
CID 120707228
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 3471758
3-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 115328557

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide (CID 8716782) is N-[2-(dimethylamino)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide is CN(C)CCNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is DYKQQSOYVQCGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F6N2O2S/c1-20(2)4-3-19-23(21,22)10-6-8(11(13,14)15)5-9(7-10)12(16,17)18/h5-7,19H,3-4H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
N-[2-(dimethylamino)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 364.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 8716782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).