N-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C11H14F4N2O2S — CID 107493900

IUPACN-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C11H14F4N2O2S/c1-8-2-3-9(12)6-10(8)20(18,19)17(5-4-16)7-11(13,14)15/h2-3,6H,4-5,7,16H2,1H3
InChIKeyRNLISJIPRSIJBI-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.65
Rot. Bonds5

About N-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

N-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 107493900) has the molecular formula C11H14F4N2O2S and a molecular weight of 314.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID107493900
Molecular FormulaC11H14F4N2O2S
Molecular Weight314.30 g/mol
Exact Mass314.07
IUPAC NameN-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C11H14F4N2O2S/c1-8-2-3-9(12)6-10(8)20(18,19)17(5-4-16)7-11(13,14)15/h2-3,6H,4-5,7,16H2,1H3
InChIKeyRNLISJIPRSIJBI-UHFFFAOYSA-N
XLogP1.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)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-(2-bromoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107492914
N-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107493948
2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106619
N-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 63287461
2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107493038
2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 55006792
2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483813
2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 47064825
5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892303
N-(3-amino-2,2-dimethylpropyl)-4-fluoro-N,2-dimethylbenzenesulfonamide
CID 79652711
3-fluoro-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483804
N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-N'-methylethane-1,2-diamine
CID 62891099

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 107493900) is N-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)N(CCN)CC(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is RNLISJIPRSIJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2O2S/c1-8-2-3-9(12)6-10(8)20(18,19)17(5-4-16)7-11(13,14)15/h2-3,6H,4-5,7,16H2,1H3.
What are the key properties of N-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
N-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 314.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 107493900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).