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

C11H16ClF3N2O2S2 — CID 120824647

IUPACN-[2-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc(SC(F)(F)F)cc1.Cl
InChIInChI=1S/C11H15F3N2O2S2.ClH/c1-8(15-2)7-16-20(17,18)10-5-3-9(4-6-10)19-11(12,13)14;/h3-6,8,15-16H,7H2,1-2H3;1H
InChIKeyUJFKUMGSNPKBBL-UHFFFAOYSA-N
MW364.84 g/mol
LogP2.61
Rot. Bonds6

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

N-[2-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride (PubChem CID 120824647) has the molecular formula C11H16ClF3N2O2S2 and a molecular weight of 364.84 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
PubChem CID120824647
Molecular FormulaC11H16ClF3N2O2S2
Molecular Weight364.84 g/mol
Exact Mass364.03
IUPAC NameN-[2-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc(SC(F)(F)F)cc1.Cl
InChIInChI=1S/C11H15F3N2O2S2.ClH/c1-8(15-2)7-16-20(17,18)10-5-3-9(4-6-10)19-11(12,13)14;/h3-6,8,15-16H,7H2,1-2H3;1H
InChIKeyUJFKUMGSNPKBBL-UHFFFAOYSA-N
XLogP2.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 120665053
N-[2-(methylamino)ethyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide
CID 119973372
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 120824445
N-[3-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide
CID 119965107
4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 120825538
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride
CID 120825045
N-[2-(ethylamino)ethyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide
CID 119973962
3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824457
4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824764
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride (CID 120824647) is N-[2-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride is CNC(C)CNS(=O)(=O)c1ccc(SC(F)(F)F)cc1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride?
The InChIKey is UJFKUMGSNPKBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S2.ClH/c1-8(15-2)7-16-20(17,18)10-5-3-9(4-6-10)19-11(12,13)14;/h3-6,8,15-16H,7H2,1-2H3;1H.
What are the key properties of N-[2-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride?
N-[2-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride has a molecular weight of 364.84 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120824647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).