N-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride

C11H16ClF3N2O3S — CID 119973870

IUPACN-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1cccc(OC(F)(F)F)c1.Cl
InChIInChI=1S/C11H15F3N2O3S.ClH/c1-2-15-6-7-16-20(17,18)10-5-3-4-9(8-10)19-11(12,13)14;/h3-5,8,15-16H,2,6-7H2,1H3;1H
InChIKeyIJOAJNMUNPDMKH-UHFFFAOYSA-N
MW348.77 g/mol
LogP1.89
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride

N-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride (PubChem CID 119973870) has the molecular formula C11H16ClF3N2O3S and a molecular weight of 348.77 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
PubChem CID119973870
Molecular FormulaC11H16ClF3N2O3S
Molecular Weight348.77 g/mol
Exact Mass348.05
IUPAC NameN-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1cccc(OC(F)(F)F)c1.Cl
InChIInChI=1S/C11H15F3N2O3S.ClH/c1-2-15-6-7-16-20(17,18)10-5-3-4-9(8-10)19-11(12,13)14;/h3-5,8,15-16H,2,6-7H2,1H3;1H
InChIKeyIJOAJNMUNPDMKH-UHFFFAOYSA-N
XLogP1.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.77
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
N-[2-(methylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 62659680
N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119965033
N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31687969
N-ethyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 81018899
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide;hydrochloride
CID 119973477
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 120723484
N-[2-(ethylamino)ethyl]-3,5-dimethoxybenzenesulfonamide
CID 119974003
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 120721583
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 47034075
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 78845500
N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31669223

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride (CID 119973870) is N-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride is CCNCCNS(=O)(=O)c1cccc(OC(F)(F)F)c1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride?
The InChIKey is IJOAJNMUNPDMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S.ClH/c1-2-15-6-7-16-20(17,18)10-5-3-4-9(8-10)19-11(12,13)14;/h3-5,8,15-16H,2,6-7H2,1H3;1H.
What are the key properties of N-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride?
N-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride has a molecular weight of 348.77 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119973870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).