4-[4-azido-2-(trifluoromethyl)phenoxy]benzenesulfonamide

C13H9F3N4O3S — CID 169326430

IUPAC4-[4-azido-2-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILES[N-]=[N+]=Nc1ccc(Oc2ccc(S(N)(=O)=O)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C13H9F3N4O3S/c14-13(15,16)11-7-8(19-20-17)1-6-12(11)23-9-2-4-10(5-3-9)24(18,21)22/h1-7H,(H2,18,21,22)
InChIKeyDVTHSBYLYKDMGW-UHFFFAOYSA-N
MW358.30 g/mol
LogP4.09
Rot. Bonds4

About 4-[4-azido-2-(trifluoromethyl)phenoxy]benzenesulfonamide

4-[4-azido-2-(trifluoromethyl)phenoxy]benzenesulfonamide (PubChem CID 169326430) has the molecular formula C13H9F3N4O3S and a molecular weight of 358.30 g/mol. Its IUPAC name is 4-[4-azido-2-(trifluoromethyl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-azido-2-(trifluoromethyl)phenoxy]benzenesulfonamide
PubChem CID169326430
Molecular FormulaC13H9F3N4O3S
Molecular Weight358.30 g/mol
Exact Mass358.03
IUPAC Name4-[4-azido-2-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILES[N-]=[N+]=Nc1ccc(Oc2ccc(S(N)(=O)=O)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C13H9F3N4O3S/c14-13(15,16)11-7-8(19-20-17)1-6-12(11)23-9-2-4-10(5-3-9)24(18,21)22/h1-7H,(H2,18,21,22)
InChIKeyDVTHSBYLYKDMGW-UHFFFAOYSA-N
XLogP4.09
TPSA118.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-[4-azido-2-(trifluoromethyl)phenoxy]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 4-[4-azido-2-(trifluoromethyl)phenoxy]benzenesulfonamide?
The IUPAC name of 4-[4-azido-2-(trifluoromethyl)phenoxy]benzenesulfonamide (CID 169326430) is 4-[4-azido-2-(trifluoromethyl)phenoxy]benzenesulfonamide.
What is the SMILES notation for 4-[4-azido-2-(trifluoromethyl)phenoxy]benzenesulfonamide?
The canonical SMILES for 4-[4-azido-2-(trifluoromethyl)phenoxy]benzenesulfonamide is [N-]=[N+]=Nc1ccc(Oc2ccc(S(N)(=O)=O)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-azido-2-(trifluoromethyl)phenoxy]benzenesulfonamide?
The InChIKey is DVTHSBYLYKDMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O3S/c14-13(15,16)11-7-8(19-20-17)1-6-12(11)23-9-2-4-10(5-3-9)24(18,21)22/h1-7H,(H2,18,21,22).
What are the key properties of 4-[4-azido-2-(trifluoromethyl)phenoxy]benzenesulfonamide?
4-[4-azido-2-(trifluoromethyl)phenoxy]benzenesulfonamide has a molecular weight of 358.30 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-azido-2-(trifluoromethyl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 169326430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).