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

C17H15Cl2N3O3S2 — CID 71590191

IUPAC4-chloro-N-[1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccc(Cl)cc2)o1
InChIInChI=1S/C17H15Cl2N3O3S2/c1-11(22-27(23,24)15-8-6-14(19)7-9-15)16-20-21-17(25-16)26-10-12-2-4-13(18)5-3-12/h2-9,11,22H,10H2,1H3
InChIKeyAWMXOWRHKDQSDX-UHFFFAOYSA-N
MW444.37 g/mol
LogP4.71
Rot. Bonds7

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

4-chloro-N-[1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide (PubChem CID 71590191) has the molecular formula C17H15Cl2N3O3S2 and a molecular weight of 444.37 g/mol. Its IUPAC name is 4-chloro-N-[1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
PubChem CID71590191
Molecular FormulaC17H15Cl2N3O3S2
Molecular Weight444.37 g/mol
Exact Mass442.99
IUPAC Name4-chloro-N-[1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccc(Cl)cc2)o1
InChIInChI=1S/C17H15Cl2N3O3S2/c1-11(22-27(23,24)15-8-6-14(19)7-9-15)16-20-21-17(25-16)26-10-12-2-4-13(18)5-3-12/h2-9,11,22H,10H2,1H3
InChIKeyAWMXOWRHKDQSDX-UHFFFAOYSA-N
XLogP4.71
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide with MolForge

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Related Compounds

4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanyl-propyl]benzenesulfonamide
CID 53484192
N-[1-(5-(4-Fluorobenzylthio)-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulphonamide
CID 71590208
N-[1-(5-(4-Fluorobenzylthio)-1,3,4-oxadiazol-2-yl)ethyl]-4-chlorobenzenesulphonamide
CID 71590210
N-[1-(5-(4-Chlorobenzylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl]-4-methylbenzenesulphonamide
CID 53484189
N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanyl-propyl]-4-chloro-benzenesulfonamide
CID 53484190
N-[1-(5-(4-Bromobenzylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl]-4-chlorobenzenesulphonamide
CID 53484191
4-chloro-N-[1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanyl-propyl]benzenesulfonamide
CID 53484205
N-[1-(5-(4-Bromobenzylthio)-1,3,4-oxadiazol-2-yl)ethyl]-4-chlorobenzenesulphonamide
CID 53484207
N-[1-(5-(4-Chlorobenzylthio)-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulphonamide
CID 57498472
N-[1-(5-Benzylthio-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulphonamide
CID 71590130
N-[1-(5-Benzylthio-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl]-4-methylbenzenesulphonamide
CID 71590192
N-[1-(5-Benzylthio-1,3,4-oxadiazol-2-yl)ethyl]-4-chlorobenzenesulphonamide
CID 71590209

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide (CID 71590191) is 4-chloro-N-[1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccc(Cl)cc2)o1.
What is the InChIKey of 4-chloro-N-[1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide?
The InChIKey is AWMXOWRHKDQSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3S2/c1-11(22-27(23,24)15-8-6-14(19)7-9-15)16-20-21-17(25-16)26-10-12-2-4-13(18)5-3-12/h2-9,11,22H,10H2,1H3.
What are the key properties of 4-chloro-N-[1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide?
4-chloro-N-[1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide has a molecular weight of 444.37 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 71590191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).