N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride

C17H20ClF3N2O2S — CID 120895425

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N2O2S.ClH/c18-17(19,20)15-6-8-16(9-7-15)25(23,24)22(13-11-21)12-10-14-4-2-1-3-5-14;/h1-9H,10-13,21H2;1H
InChIKeySOJQBAHLWFURTM-UHFFFAOYSA-N
MW408.87 g/mol
LogP3.32
Rot. Bonds7

About N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride

N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 120895425) has the molecular formula C17H20ClF3N2O2S and a molecular weight of 408.87 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID120895425
Molecular FormulaC17H20ClF3N2O2S
Molecular Weight408.87 g/mol
Exact Mass408.09
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N2O2S.ClH/c18-17(19,20)15-6-8-16(9-7-15)25(23,24)22(13-11-21)12-10-14-4-2-1-3-5-14;/h1-9H,10-13,21H2;1H
InChIKeySOJQBAHLWFURTM-UHFFFAOYSA-N
XLogP3.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.87
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895835
N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895305
N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895906
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895597
N-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 120895456
N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)pyridine-3-sulfonamide
CID 120895656
N-(2-aminoethyl)-N-(2-phenylethyl)-1,3-benzodioxole-5-sulfonamide
CID 120895889
N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120895421
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895249
N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895673
N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120895703

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 120895425) is N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride is Cl.NCCN(CCc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is SOJQBAHLWFURTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2S.ClH/c18-17(19,20)15-6-8-16(9-7-15)25(23,24)22(13-11-21)12-10-14-4-2-1-3-5-14;/h1-9H,10-13,21H2;1H.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 408.87 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120895425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).