N-(4-hydroxy-2-methylphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide

C22H18N2O4S — CID 19258754

IUPACN-(4-hydroxy-2-methylphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
SMILESCc1cc(O)ccc1NS(=O)(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H18N2O4S/c1-15-13-18(25)9-12-20(15)24-29(26,27)19-10-7-17(8-11-19)22-23-14-21(28-22)16-5-3-2-4-6-16/h2-14,24-25H,1H3
InChIKeyACSMCRPJNCFCMI-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.82
Rot. Bonds5

About N-(4-hydroxy-2-methylphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide

N-(4-hydroxy-2-methylphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide (PubChem CID 19258754) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
PubChem CID19258754
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC NameN-(4-hydroxy-2-methylphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
SMILESCc1cc(O)ccc1NS(=O)(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H18N2O4S/c1-15-13-18(25)9-12-20(15)24-29(26,27)19-10-7-17(8-11-19)22-23-14-21(28-22)16-5-3-2-4-6-16/h2-14,24-25H,1H3
InChIKeyACSMCRPJNCFCMI-UHFFFAOYSA-N
XLogP4.82
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258675
N-(4-chloro-2-nitrophenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258756
4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzamide
CID 19258755
N-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258782
N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258693
4-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 19258749
4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
CID 3315949
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258689
N-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258829
2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate
CID 19258628
methyl 2-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]-1,3-benzothiazole-6-carboxylate
CID 19258840

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide (CID 19258754) is N-(4-hydroxy-2-methylphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide is Cc1cc(O)ccc1NS(=O)(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?
The InChIKey is ACSMCRPJNCFCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S/c1-15-13-18(25)9-12-20(15)24-29(26,27)19-10-7-17(8-11-19)22-23-14-21(28-22)16-5-3-2-4-6-16/h2-14,24-25H,1H3.
What are the key properties of N-(4-hydroxy-2-methylphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?
N-(4-hydroxy-2-methylphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide has a molecular weight of 406.46 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 19258754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).