5-chloro-N-[2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methoxy-N-methylbenzenesulfonamide

C18H17Cl2N3O4S — CID 53055879

IUPAC5-chloro-N-[2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(C)CCc1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C18H17Cl2N3O4S/c1-23(28(24,25)16-11-12(19)7-8-15(16)26-2)10-9-17-21-18(27-22-17)13-5-3-4-6-14(13)20/h3-8,11H,9-10H2,1-2H3
InChIKeyQDXCTKUECAUHCV-UHFFFAOYSA-N
MW442.32 g/mol
LogP3.92
Rot. Bonds7

About 5-chloro-N-[2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methoxy-N-methylbenzenesulfonamide

5-chloro-N-[2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 53055879) has the molecular formula C18H17Cl2N3O4S and a molecular weight of 442.32 g/mol. Its IUPAC name is 5-chloro-N-[2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methoxy-N-methylbenzenesulfonamide
PubChem CID53055879
Molecular FormulaC18H17Cl2N3O4S
Molecular Weight442.32 g/mol
Exact Mass441.03
IUPAC Name5-chloro-N-[2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(C)CCc1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C18H17Cl2N3O4S/c1-23(28(24,25)16-11-12(19)7-8-15(16)26-2)10-9-17-21-18(27-22-17)13-5-3-4-6-14(13)20/h3-8,11H,9-10H2,1-2H3
InChIKeyQDXCTKUECAUHCV-UHFFFAOYSA-N
XLogP3.92
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055845
N-[2-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methoxy-N-methylbenzenesulfonamide
CID 53055889
5-(2-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 874813
1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone
CID 38859705
5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole
CID 869984
5-chloro-2-methoxy-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 30154205
N-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747540
2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 27211491
3-chloro-4-methoxy-N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzenesulfonamide
CID 53056194
4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide
CID 141141198
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethoxyphenyl)-N-methylthiophene-3-sulfonamide
CID 53077452
2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 12551367

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-[2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methoxy-N-methylbenzenesulfonamide (CID 53055879) is 5-chloro-N-[2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methoxy-N-methylbenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)N(C)CCc1noc(-c2ccccc2Cl)n1.
What is the InChIKey of 5-chloro-N-[2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is QDXCTKUECAUHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O4S/c1-23(28(24,25)16-11-12(19)7-8-15(16)26-2)10-9-17-21-18(27-22-17)13-5-3-4-6-14(13)20/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 5-chloro-N-[2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methoxy-N-methylbenzenesulfonamide?
5-chloro-N-[2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 442.32 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 53055879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).