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

C19H19ClFN3O3S3 — CID 53484192

IUPAC4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]benzenesulfonamide
SMILESCSCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccc(F)cc2)o1
InChIInChI=1S/C19H19ClFN3O3S3/c1-28-11-10-17(24-30(25,26)16-8-4-14(20)5-9-16)18-22-23-19(27-18)29-12-13-2-6-15(21)7-3-13/h2-9,17,24H,10-12H2,1H3
InChIKeyCPOHCFAECNXQPN-UHFFFAOYSA-N
MW488.03 g/mol
LogP4.93
Rot. Bonds10

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

4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]benzenesulfonamide (PubChem CID 53484192) has the molecular formula C19H19ClFN3O3S3 and a molecular weight of 488.03 g/mol. Its IUPAC name is 4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]benzenesulfonamide
PubChem CID53484192
Molecular FormulaC19H19ClFN3O3S3
Molecular Weight488.03 g/mol
Exact Mass487.03
IUPAC Name4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]benzenesulfonamide
SMILESCSCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccc(F)cc2)o1
InChIInChI=1S/C19H19ClFN3O3S3/c1-28-11-10-17(24-30(25,26)16-8-4-14(20)5-9-16)18-22-23-19(27-18)29-12-13-2-6-15(21)7-3-13/h2-9,17,24H,10-12H2,1H3
InChIKeyCPOHCFAECNXQPN-UHFFFAOYSA-N
XLogP4.93
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.03
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(5-(4-Fluorobenzylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl]-4-methylbenzenesulphonamide
CID 53484188
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
4-chloro-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide
CID 118729160
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-(4-Chlorobenzylthio)-1,3,4-oxadiazol-2-yl)ethyl]-4-chlorobenzenesulphonamide
CID 71590191

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]benzenesulfonamide (CID 53484192) is 4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]benzenesulfonamide is CSCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccc(F)cc2)o1.
What is the InChIKey of 4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]benzenesulfonamide?
The InChIKey is CPOHCFAECNXQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O3S3/c1-28-11-10-17(24-30(25,26)16-8-4-14(20)5-9-16)18-22-23-19(27-18)29-12-13-2-6-15(21)7-3-13/h2-9,17,24H,10-12H2,1H3.
What are the key properties of 4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]benzenesulfonamide?
4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]benzenesulfonamide has a molecular weight of 488.03 g/mol, XLogP of 4.93, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]benzenesulfonamide is sourced from PubChem (CID 53484192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).