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

C19H14N2O2S2 — CID 5234678

IUPACN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1
InChIInChI=1S/C19H14N2O2S2/c22-25(23,17-8-2-1-3-9-17)21-19-20-18(13-24-19)16-11-10-14-6-4-5-7-15(14)12-16/h1-13H,(H,20,21)
InChIKeyWZPUFGKWFFGKGH-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.76
Rot. Bonds4

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

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 5234678) has the molecular formula C19H14N2O2S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID5234678
Molecular FormulaC19H14N2O2S2
Molecular Weight366.47 g/mol
Exact Mass366.05
IUPAC NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1
InChIInChI=1S/C19H14N2O2S2/c22-25(23,17-8-2-1-3-9-17)21-19-20-18(13-24-19)16-11-10-14-6-4-5-7-15(14)12-16/h1-13H,(H,20,21)
InChIKeyWZPUFGKWFFGKGH-UHFFFAOYSA-N
XLogP4.76
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.76
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-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 13219373
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
4-[(4-fluorophenyl)sulfonylamino]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 121044337
3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane
CID 90842938
N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 25036163
N-[6-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 108781114
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1359200
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 4195615

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (CID 5234678) is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1.
What is the InChIKey of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is WZPUFGKWFFGKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S2/c22-25(23,17-8-2-1-3-9-17)21-19-20-18(13-24-19)16-11-10-14-6-4-5-7-15(14)12-16/h1-13H,(H,20,21).
What are the key properties of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 366.47 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 5234678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).