N-[2-(ethylamino)ethyl]-2-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride

C12H18ClF3N2O2S — CID 119973462

IUPACN-[2-(ethylamino)ethyl]-2-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1C.Cl
InChIInChI=1S/C12H17F3N2O2S.ClH/c1-3-16-6-7-17-20(18,19)11-8-10(12(13,14)15)5-4-9(11)2;/h4-5,8,16-17H,3,6-7H2,1-2H3;1H
InChIKeyPXSVQEDFVPXAGX-UHFFFAOYSA-N
MW346.80 g/mol
LogP2.32
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-2-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride

N-[2-(ethylamino)ethyl]-2-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 119973462) has the molecular formula C12H18ClF3N2O2S and a molecular weight of 346.80 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID119973462
Molecular FormulaC12H18ClF3N2O2S
Molecular Weight346.80 g/mol
Exact Mass346.07
IUPAC NameN-[2-(ethylamino)ethyl]-2-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1C.Cl
InChIInChI=1S/C12H17F3N2O2S.ClH/c1-3-16-6-7-17-20(18,19)11-8-10(12(13,14)15)5-4-9(11)2;/h4-5,8,16-17H,3,6-7H2,1-2H3;1H
InChIKeyPXSVQEDFVPXAGX-UHFFFAOYSA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.80
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 120708785
2-bromo-N-[2-(methylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120708659
4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119973952
N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide
CID 43606579
N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990240
N-[2-(ethylamino)ethyl]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119973457
2-bromo-N-[2-(ethylamino)ethyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119973473
5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzenesulfonamide
CID 104858895
N-(3-aminopropyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 91659841
N-[2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]acetamide
CID 3824070
2,5-dimethyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 33331905
1-N-[2-(ethylamino)ethyl]-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119973745

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 119973462) is N-[2-(ethylamino)ethyl]-2-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride is CCNCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1C.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is PXSVQEDFVPXAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S.ClH/c1-3-16-6-7-17-20(18,19)11-8-10(12(13,14)15)5-4-9(11)2;/h4-5,8,16-17H,3,6-7H2,1-2H3;1H.
What are the key properties of N-[2-(ethylamino)ethyl]-2-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-[2-(ethylamino)ethyl]-2-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 346.80 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119973462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).