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

C11H15F3N2O2S — CID 119972929

IUPAC4-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCNCCNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2O2S/c1-8-3-4-9(7-10(8)11(12,13)14)19(17,18)16-6-5-15-2/h3-4,7,15-16H,5-6H2,1-2H3
InChIKeyPGQPCWDVJBNODW-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.51
Rot. Bonds5

About 4-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide

4-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 119972929) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID119972929
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name4-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCNCCNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2O2S/c1-8-3-4-9(7-10(8)11(12,13)14)19(17,18)16-6-5-15-2/h3-4,7,15-16H,5-6H2,1-2H3
InChIKeyPGQPCWDVJBNODW-UHFFFAOYSA-N
XLogP1.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.51
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

4-cyano-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119973335
N-(4-aminobutyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 120583345
4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 120825538
N-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988055
N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 120665056
N-ethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 51102093
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
N-[2-(methylamino)ethyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide
CID 119973372
4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719842
4-bromo-3-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973263

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide (CID 119972929) is 4-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide is CNCCNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PGQPCWDVJBNODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-8-3-4-9(7-10(8)11(12,13)14)19(17,18)16-6-5-15-2/h3-4,7,15-16H,5-6H2,1-2H3.
What are the key properties of 4-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
4-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 296.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 119972929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).