4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C21H16N2O3S2 — CID 71719229

IUPAC4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(Oc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C21H16N2O3S2/c24-28(25,23-21-22-14-15-27-21)18-12-10-17(11-13-18)26-20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-15H,(H,22,23)
InChIKeyQTCGTMAKEKPHTN-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.40
Rot. Bonds6

About 4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71719229) has the molecular formula C21H16N2O3S2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71719229
Molecular FormulaC21H16N2O3S2
Molecular Weight408.50 g/mol
Exact Mass408.06
IUPAC Name4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(Oc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C21H16N2O3S2/c24-28(25,23-21-22-14-15-27-21)18-12-10-17(11-13-18)26-20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-15H,(H,22,23)
InChIKeyQTCGTMAKEKPHTN-UHFFFAOYSA-N
XLogP5.40
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-phenylphenoxy)-N-(1,3-thiazol-2-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 4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71719229) is 4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(Oc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is QTCGTMAKEKPHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S2/c24-28(25,23-21-22-14-15-27-21)18-12-10-17(11-13-18)26-20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-15H,(H,22,23).
What are the key properties of 4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 408.50 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71719229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).