N-[(2R)-2-(ethylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride

C12H18ClF3N2O2S2 — CID 120665053

IUPACN-[(2R)-2-(ethylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccc(SC(F)(F)F)cc1.Cl
InChIInChI=1S/C12H17F3N2O2S2.ClH/c1-3-16-9(2)8-17-21(18,19)11-6-4-10(5-7-11)20-12(13,14)15;/h4-7,9,16-17H,3,8H2,1-2H3;1H/t9-;/m1./s1
InChIKeyHWDQDRKYUYZXMO-SBSPUUFOSA-N
MW378.87 g/mol
LogP3.00
Rot. Bonds7

About N-[(2R)-2-(ethylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride (PubChem CID 120665053) has the molecular formula C12H18ClF3N2O2S2 and a molecular weight of 378.87 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
PubChem CID120665053
Molecular FormulaC12H18ClF3N2O2S2
Molecular Weight378.87 g/mol
Exact Mass378.05
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccc(SC(F)(F)F)cc1.Cl
InChIInChI=1S/C12H17F3N2O2S2.ClH/c1-3-16-9(2)8-17-21(18,19)11-6-4-10(5-7-11)20-12(13,14)15;/h4-7,9,16-17H,3,8H2,1-2H3;1H/t9-;/m1./s1
InChIKeyHWDQDRKYUYZXMO-SBSPUUFOSA-N
XLogP3.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.87
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-(ethylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 120824647
N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664997
N-[2-(ethylamino)ethyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide
CID 119973962
N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120713890
N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 120665056
N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651
N-[(4-methylpiperidin-4-yl)methyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 120720448
N-[2-(methylamino)ethyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide
CID 119973372
N-[(2R)-2-(ethylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 120664537
N-[(2R)-2-(ethylamino)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
CID 120664886
N-[3-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide
CID 119965107
N-(2-methylbutan-2-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide
CID 47425286

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride (CID 120665053) is N-[(2R)-2-(ethylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride is CCN[C@H](C)CNS(=O)(=O)c1ccc(SC(F)(F)F)cc1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride?
The InChIKey is HWDQDRKYUYZXMO-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H17F3N2O2S2.ClH/c1-3-16-9(2)8-17-21(18,19)11-6-4-10(5-7-11)20-12(13,14)15;/h4-7,9,16-17H,3,8H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride has a molecular weight of 378.87 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120665053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).