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

C22H19N3O5S — CID 53098161

IUPAC2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(-c3nnc(-c4ccccc4)o3)ccc2OC)cc1
InChIInChI=1S/C22H19N3O5S/c1-28-18-11-9-17(10-12-18)25-31(26,27)20-14-16(8-13-19(20)29-2)22-24-23-21(30-22)15-6-4-3-5-7-15/h3-14,25H,1-2H3
InChIKeyIDWZIKYXCFJCPA-UHFFFAOYSA-N
MW437.48 g/mol
LogP4.22
Rot. Bonds7

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

2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 53098161) has the molecular formula C22H19N3O5S and a molecular weight of 437.48 g/mol. Its IUPAC name is 2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID53098161
Molecular FormulaC22H19N3O5S
Molecular Weight437.48 g/mol
Exact Mass437.10
IUPAC Name2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(-c3nnc(-c4ccccc4)o3)ccc2OC)cc1
InChIInChI=1S/C22H19N3O5S/c1-28-18-11-9-17(10-12-18)25-31(26,27)20-14-16(8-13-19(20)29-2)22-24-23-21(30-22)15-6-4-3-5-7-15/h3-14,25H,1-2H3
InChIKeyIDWZIKYXCFJCPA-UHFFFAOYSA-N
XLogP4.22
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-hydroxyphenyl)-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098163
N-cyclopentyl-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098172
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
N-[4-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133073
2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 7553626
2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418422
N-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 46331646
5-fluoro-2-methoxy-N-[4-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 164615909
2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 2208419
2-methoxy-5-methyl-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643633
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 7421295
2,4-dimethoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643635

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 53098161) is 2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(-c3nnc(-c4ccccc4)o3)ccc2OC)cc1.
What is the InChIKey of 2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is IDWZIKYXCFJCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5S/c1-28-18-11-9-17(10-12-18)25-31(26,27)20-14-16(8-13-19(20)29-2)22-24-23-21(30-22)15-6-4-3-5-7-15/h3-14,25H,1-2H3.
What are the key properties of 2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 437.48 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 53098161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).