N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide

C11H15F3N2O2S — CID 115319055

IUPACN-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCN(CCCN)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2O2S/c1-16(8-2-7-15)19(17,18)10-5-3-9(4-6-10)11(12,13)14/h3-6H,2,7-8,15H2,1H3
InChIKeyKEFPDLRQTQADDH-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.67
Rot. Bonds5

About N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide

N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 115319055) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID115319055
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC NameN-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCN(CCCN)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2O2S/c1-16(8-2-7-15)19(17,18)10-5-3-9(4-6-10)11(12,13)14/h3-6H,2,7-8,15H2,1H3
InChIKeyKEFPDLRQTQADDH-UHFFFAOYSA-N
XLogP1.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide 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-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 115319032
4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 115319076
N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide
CID 103829034
N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 98781428
N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide
CID 55103943
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene
CID 106003027
4-chloro-N-methyl-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 58597499
N-(2-aminoethyl)-4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 62687721
4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide
CID 55225592
N-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide
CID 115319073
N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide
CID 115319094

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide (CID 115319055) is N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide is CN(CCCN)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KEFPDLRQTQADDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-16(8-2-7-15)19(17,18)10-5-3-9(4-6-10)11(12,13)14/h3-6H,2,7-8,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 296.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 115319055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).