N-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-sulfonamide

C12H16F3N3O2S — CID 43550644

IUPACN-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-sulfonamide
SMILESNc1ccc(NS(=O)(=O)N2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C12H16F3N3O2S/c13-12(14,15)10-8-9(16)4-5-11(10)17-21(19,20)18-6-2-1-3-7-18/h4-5,8,17H,1-3,6-7,16H2
InChIKeyLXAWTKMRKAGQDA-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.43
Rot. Bonds3

About N-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-sulfonamide

N-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-sulfonamide (PubChem CID 43550644) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is N-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-sulfonamide
PubChem CID43550644
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC NameN-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-sulfonamide
SMILESNc1ccc(NS(=O)(=O)N2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C12H16F3N3O2S/c13-12(14,15)10-8-9(16)4-5-11(10)17-21(19,20)18-6-2-1-3-7-18/h4-5,8,17H,1-3,6-7,16H2
InChIKeyLXAWTKMRKAGQDA-UHFFFAOYSA-N
XLogP2.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-sulfonamide?
The IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-sulfonamide (CID 43550644) is N-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-sulfonamide is Nc1ccc(NS(=O)(=O)N2CCCCC2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-sulfonamide?
The InChIKey is LXAWTKMRKAGQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c13-12(14,15)10-8-9(16)4-5-11(10)17-21(19,20)18-6-2-1-3-7-18/h4-5,8,17H,1-3,6-7,16H2.
What are the key properties of N-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-sulfonamide?
N-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-sulfonamide has a molecular weight of 323.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-sulfonamide is sourced from PubChem (CID 43550644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).