N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide

C23H21N3O5S — CID 50839280

IUPACN-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)c1
InChIInChI=1S/C23H21N3O5S/c1-15-7-9-16(10-8-15)22-24-23(31-25-22)17-5-4-6-19(13-17)32(27,28)26-20-14-18(29-2)11-12-21(20)30-3/h4-14,26H,1-3H3
InChIKeyCDIVHXVIHJQPMN-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.53
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide

N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (PubChem CID 50839280) has the molecular formula C23H21N3O5S and a molecular weight of 451.50 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
PubChem CID50839280
Molecular FormulaC23H21N3O5S
Molecular Weight451.50 g/mol
Exact Mass451.12
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)c1
InChIInChI=1S/C23H21N3O5S/c1-15-7-9-16(10-8-15)22-24-23(31-25-22)17-5-4-6-19(13-17)32(27,28)26-20-14-18(29-2)11-12-21(20)30-3/h4-14,26H,1-3H3
InChIKeyCDIVHXVIHJQPMN-UHFFFAOYSA-N
XLogP4.53
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
CID 50823114
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 50838999
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 50839104
N-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
CID 50821998
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
CID 4897163
N-(2,5-dimethoxyphenyl)naphthalene-2-sulfonamide
CID 823335
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50837756
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 50841866
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 35521904
N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methylbenzenesulfonamide
CID 50823083
2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418422
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 95254693

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (CID 50839280) is N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is COc1ccc(OC)c(NS(=O)(=O)c2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The InChIKey is CDIVHXVIHJQPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S/c1-15-7-9-16(10-8-15)22-24-23(31-25-22)17-5-4-6-19(13-17)32(27,28)26-20-14-18(29-2)11-12-21(20)30-3/h4-14,26H,1-3H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide has a molecular weight of 451.50 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 50839280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).