2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C11H14F4N2O2S — CID 61106619

IUPAC2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C11H14F4N2O2S/c1-2-5-17(7-11(13,14)15)20(18,19)10-6-8(12)3-4-9(10)16/h3-4,6H,2,5,7,16H2,1H3
InChIKeyREENZONIISBQJP-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.37
Rot. Bonds5

About 2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 61106619) has the molecular formula C11H14F4N2O2S and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID61106619
Molecular FormulaC11H14F4N2O2S
Molecular Weight314.30 g/mol
Exact Mass314.07
IUPAC Name2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C11H14F4N2O2S/c1-2-5-17(7-11(13,14)15)20(18,19)10-6-8(12)3-4-9(10)16/h3-4,6H,2,5,7,16H2,1H3
InChIKeyREENZONIISBQJP-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-5-fluoro-N-propyl-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

2-amino-5-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106801
2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 55006792
N-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107493900
2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
CID 61105509
4-amino-2-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61105488
5-amino-2-fluoro-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 80628140
2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide
CID 55226364
N-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107493948
2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60986382
N-(2-bromoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107492914
3-amino-2-bromo-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62957074
2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62921884

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 61106619) is 2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is REENZONIISBQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2O2S/c1-2-5-17(7-11(13,14)15)20(18,19)10-6-8(12)3-4-9(10)16/h3-4,6H,2,5,7,16H2,1H3.
What are the key properties of 2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 314.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 61106619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).