N-(4-hydroxyphenyl)-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

C21H17N3O5S — CID 53098163

IUPACN-(4-hydroxyphenyl)-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(-c2nnc(-c3ccccc3)o2)cc1S(=O)(=O)Nc1ccc(O)cc1
InChIInChI=1S/C21H17N3O5S/c1-28-18-12-7-15(21-23-22-20(29-21)14-5-3-2-4-6-14)13-19(18)30(26,27)24-16-8-10-17(25)11-9-16/h2-13,24-25H,1H3
InChIKeyRLAQTWSPZSSYAE-UHFFFAOYSA-N
MW423.45 g/mol
LogP3.92
Rot. Bonds6

About N-(4-hydroxyphenyl)-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

N-(4-hydroxyphenyl)-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 53098163) has the molecular formula C21H17N3O5S and a molecular weight of 423.45 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID53098163
Molecular FormulaC21H17N3O5S
Molecular Weight423.45 g/mol
Exact Mass423.09
IUPAC NameN-(4-hydroxyphenyl)-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(-c2nnc(-c3ccccc3)o2)cc1S(=O)(=O)Nc1ccc(O)cc1
InChIInChI=1S/C21H17N3O5S/c1-28-18-12-7-15(21-23-22-20(29-21)14-5-3-2-4-6-14)13-19(18)30(26,27)24-16-8-10-17(25)11-9-16/h2-13,24-25H,1H3
InChIKeyRLAQTWSPZSSYAE-UHFFFAOYSA-N
XLogP3.92
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098161
N-cyclopentyl-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098172
N-[5-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylacetamide
CID 89493780
4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 137228616
2,2-dimethyl-N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060679
4-[[5-(3-aminophenyl)-2-methoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid
CID 175181066
2-methoxy-5-methyl-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643633
2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 17171705
N-[5-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 71549649
N-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133157
N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146672107
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34082048

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 53098163) is N-(4-hydroxyphenyl)-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is COc1ccc(-c2nnc(-c3ccccc3)o2)cc1S(=O)(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is RLAQTWSPZSSYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5S/c1-28-18-12-7-15(21-23-22-20(29-21)14-5-3-2-4-6-14)13-19(18)30(26,27)24-16-8-10-17(25)11-9-16/h2-13,24-25H,1H3.
What are the key properties of N-(4-hydroxyphenyl)-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
N-(4-hydroxyphenyl)-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 423.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 53098163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).