N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide

C9H11F3N2O2S — CID 43603470

IUPACN-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESNCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H11F3N2O2S/c10-9(11,12)7-1-3-8(4-2-7)17(15,16)14-6-5-13/h1-4,14H,5-6,13H2
InChIKeyHOVKSPHQQLXZON-UHFFFAOYSA-N
MW268.26 g/mol
LogP0.94
Rot. Bonds4

About N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide

N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 43603470) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID43603470
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC NameN-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESNCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H11F3N2O2S/c10-9(11,12)7-1-3-8(4-2-7)17(15,16)14-6-5-13/h1-4,14H,5-6,13H2
InChIKeyHOVKSPHQQLXZON-UHFFFAOYSA-N
XLogP0.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide (CID 43603470) is N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide is NCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HOVKSPHQQLXZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c10-9(11,12)7-1-3-8(4-2-7)17(15,16)14-6-5-13/h1-4,14H,5-6,13H2.
What are the key properties of N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 268.26 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 43603470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).