5-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide

C22H26ClN3O6S — CID 30154406

IUPAC5-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(-c2noc(CN(CC(C)C)S(=O)(=O)c3cc(Cl)ccc3OC)n2)cc1OC
InChIInChI=1S/C22H26ClN3O6S/c1-14(2)12-26(33(27,28)20-11-16(23)7-9-18(20)30-4)13-21-24-22(25-32-21)15-6-8-17(29-3)19(10-15)31-5/h6-11,14H,12-13H2,1-5H3
InChIKeyLHTJIKLMVBOQIH-UHFFFAOYSA-N
MW495.99 g/mol
LogP4.26
Rot. Bonds10

About 5-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide

5-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 30154406) has the molecular formula C22H26ClN3O6S and a molecular weight of 495.99 g/mol. Its IUPAC name is 5-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
PubChem CID30154406
Molecular FormulaC22H26ClN3O6S
Molecular Weight495.99 g/mol
Exact Mass495.12
IUPAC Name5-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(-c2noc(CN(CC(C)C)S(=O)(=O)c3cc(Cl)ccc3OC)n2)cc1OC
InChIInChI=1S/C22H26ClN3O6S/c1-14(2)12-26(33(27,28)20-11-16(23)7-9-18(20)30-4)13-21-24-22(25-32-21)15-6-8-17(29-3)19(10-15)31-5/h6-11,14H,12-13H2,1-5H3
InChIKeyLHTJIKLMVBOQIH-UHFFFAOYSA-N
XLogP4.26
TPSA103.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.99
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-methoxy-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 30154205
5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 30154373
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 23608395
5-chloro-N-cyclohexyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 30154240
5-chloro-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzenesulfonamide
CID 100749957
2-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 6494665
3-(3,4-dimethoxyphenyl)-5-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47206961
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
CID 6494658
N-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154753
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 6494708
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide
CID 8874838
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethyl-N-propan-2-ylbenzamide
CID 6494890

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 5-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide (CID 30154406) is 5-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide is COc1ccc(-c2noc(CN(CC(C)C)S(=O)(=O)c3cc(Cl)ccc3OC)n2)cc1OC.
What is the InChIKey of 5-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is LHTJIKLMVBOQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O6S/c1-14(2)12-26(33(27,28)20-11-16(23)7-9-18(20)30-4)13-21-24-22(25-32-21)15-6-8-17(29-3)19(10-15)31-5/h6-11,14H,12-13H2,1-5H3.
What are the key properties of 5-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide?
5-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 495.99 g/mol, XLogP of 4.26, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 30154406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).