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

C21H16N2O2S2 — CID 10222134

IUPAC4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H16N2O2S2/c24-27(25,19-13-11-17(12-14-19)16-7-3-1-4-8-16)23-21-22-20(15-26-21)18-9-5-2-6-10-18/h1-15H,(H,22,23)
InChIKeyWGVIRWKBCWZWRP-UHFFFAOYSA-N
MW392.51 g/mol
LogP5.28
Rot. Bonds5

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

4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 10222134) has the molecular formula C21H16N2O2S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID10222134
Molecular FormulaC21H16N2O2S2
Molecular Weight392.51 g/mol
Exact Mass392.07
IUPAC Name4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H16N2O2S2/c24-27(25,19-13-11-17(12-14-19)16-7-3-1-4-8-16)23-21-22-20(15-26-21)18-9-5-2-6-10-18/h1-15H,(H,22,23)
InChIKeyWGVIRWKBCWZWRP-UHFFFAOYSA-N
XLogP5.28
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.51
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 5234678
3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane
CID 90842938
4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1359200
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide
CID 91966356
2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-dihydroindole-5-sulfonamide
CID 9055823
N-[4-(2-chloro-5-nitrophenyl)-1,3-thiazol-2-yl]-4-phenylbenzenesulfonamide
CID 10298989
4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 5076163
2-(dimethylsulfamoylamino)-4-phenyl-1,3-thiazole
CID 18870688
N-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 13219373
4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 2441401
N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 25036163
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzenesulfonamide
CID 28861656

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 10222134) is 4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is WGVIRWKBCWZWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S2/c24-27(25,19-13-11-17(12-14-19)16-7-3-1-4-8-16)23-21-22-20(15-26-21)18-9-5-2-6-10-18/h1-15H,(H,22,23).
What are the key properties of 4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 392.51 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 10222134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).