N-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

C11H16ClF3N2O2S — CID 120718024

IUPACN-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCNCCN(C)S(=O)(=O)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C11H15F3N2O2S.ClH/c1-15-6-7-16(2)19(17,18)10-5-3-4-9(8-10)11(12,13)14;/h3-5,8,15H,6-7H2,1-2H3;1H
InChIKeyWSUILTLJMBMULH-UHFFFAOYSA-N
MW332.78 g/mol
LogP1.97
Rot. Bonds5

About N-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

N-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 120718024) has the molecular formula C11H16ClF3N2O2S and a molecular weight of 332.78 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID120718024
Molecular FormulaC11H16ClF3N2O2S
Molecular Weight332.78 g/mol
Exact Mass332.06
IUPAC NameN-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCNCCN(C)S(=O)(=O)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C11H15F3N2O2S.ClH/c1-15-6-7-16(2)19(17,18)10-5-3-4-9(8-10)11(12,13)14;/h3-5,8,15H,6-7H2,1-2H3;1H
InChIKeyWSUILTLJMBMULH-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.78
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 39795004
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
3-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 59019327
N-[2-[bis[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethyl]amino]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11029080
N-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 120718201
N-methyl-N-(oxolan-3-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 91905749
N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 4986715
N-[2-(methylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119503433
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
N-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119433256
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 79378419
4-fluoro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 112787889

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 120718024) is N-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is CNCCN(C)S(=O)(=O)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is WSUILTLJMBMULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S.ClH/c1-15-6-7-16(2)19(17,18)10-5-3-4-9(8-10)11(12,13)14;/h3-5,8,15H,6-7H2,1-2H3;1H.
What are the key properties of N-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 332.78 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120718024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).