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

C21H17N3O4S — CID 4688990

IUPACN-(4-methoxyphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1
InChIInChI=1S/C21H17N3O4S/c1-27-18-12-10-17(11-13-18)24-29(25,26)19-9-5-8-16(14-19)21-23-22-20(28-21)15-6-3-2-4-7-15/h2-14,24H,1H3
InChIKeyOKMMTZUHSRSFEM-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.21
Rot. Bonds6

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

N-(4-methoxyphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 4688990) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID4688990
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC NameN-(4-methoxyphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1
InChIInChI=1S/C21H17N3O4S/c1-27-18-12-10-17(11-13-18)24-29(25,26)19-9-5-8-16(14-19)21-23-22-20(28-21)15-6-3-2-4-7-15/h2-14,24H,1H3
InChIKeyOKMMTZUHSRSFEM-UHFFFAOYSA-N
XLogP4.21
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 4688990) is N-(4-methoxyphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is OKMMTZUHSRSFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c1-27-18-12-10-17(11-13-18)24-29(25,26)19-9-5-8-16(14-19)21-23-22-20(28-21)15-6-3-2-4-7-15/h2-14,24H,1H3.
What are the key properties of N-(4-methoxyphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
N-(4-methoxyphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 407.45 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 4688990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).