N-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C16H13F3N4O2S — CID 23209685

IUPACN-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNc1ccc(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H13F3N4O2S/c17-16(18,19)15-10-14(11-6-8-12(20)9-7-11)23(21-15)22-26(24,25)13-4-2-1-3-5-13/h1-10,22H,20H2
InChIKeyOTSDHSWAEQKYBP-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.08
Rot. Bonds4

About N-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

N-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 23209685) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID23209685
Molecular FormulaC16H13F3N4O2S
Molecular Weight382.37 g/mol
Exact Mass382.07
IUPAC NameN-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNc1ccc(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H13F3N4O2S/c17-16(18,19)15-10-14(11-6-8-12(20)9-7-11)23(21-15)22-26(24,25)13-4-2-1-3-5-13/h1-10,22H,20H2
InChIKeyOTSDHSWAEQKYBP-UHFFFAOYSA-N
XLogP3.08
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 23209685) is N-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is Nc1ccc(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is OTSDHSWAEQKYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c17-16(18,19)15-10-14(11-6-8-12(20)9-7-11)23(21-15)22-26(24,25)13-4-2-1-3-5-13/h1-10,22H,20H2.
What are the key properties of N-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
N-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 382.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 23209685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).