N-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide

C7H7F3N2O2S — CID 43602626

IUPACN-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide
SMILESNc1ccc(NS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)15(13,14)12-6-3-1-5(11)2-4-6/h1-4,12H,11H2
InChIKeyUJKATHBULMRPFK-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.53
Rot. Bonds2

About N-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide

N-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 43602626) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is N-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID43602626
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC NameN-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide
SMILESNc1ccc(NS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)15(13,14)12-6-3-1-5(11)2-4-6/h1-4,12H,11H2
InChIKeyUJKATHBULMRPFK-UHFFFAOYSA-N
XLogP1.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide (CID 43602626) is N-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide is Nc1ccc(NS(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of N-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is UJKATHBULMRPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c8-7(9,10)15(13,14)12-6-3-1-5(11)2-4-6/h1-4,12H,11H2.
What are the key properties of N-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide?
N-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 240.21 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 43602626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).