N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzenesulfonamide

C19H20ClN3O3S3 — CID 53484190

IUPACN-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzenesulfonamide
SMILESCSCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccccc2)o1
InChIInChI=1S/C19H20ClN3O3S3/c1-27-12-11-17(23-29(24,25)16-9-7-15(20)8-10-16)18-21-22-19(26-18)28-13-14-5-3-2-4-6-14/h2-10,17,23H,11-13H2,1H3
InChIKeyCBPCBRFBTRFSBJ-UHFFFAOYSA-N
MW470.04 g/mol
LogP4.79
Rot. Bonds10

About N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzenesulfonamide

N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzenesulfonamide (PubChem CID 53484190) has the molecular formula C19H20ClN3O3S3 and a molecular weight of 470.04 g/mol. Its IUPAC name is N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzenesulfonamide
PubChem CID53484190
Molecular FormulaC19H20ClN3O3S3
Molecular Weight470.04 g/mol
Exact Mass469.04
IUPAC NameN-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzenesulfonamide
SMILESCSCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccccc2)o1
InChIInChI=1S/C19H20ClN3O3S3/c1-27-12-11-17(23-29(24,25)16-9-7-15(20)8-10-16)18-21-22-19(26-18)28-13-14-5-3-2-4-6-14/h2-10,17,23H,11-13H2,1H3
InChIKeyCBPCBRFBTRFSBJ-UHFFFAOYSA-N
XLogP4.79
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.04
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzenesulfonamide with MolForge

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Related Compounds

(1S)-1-{5-[(4-chlorobenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine
CID 1872573
(1S)-1-[5-[(3-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
CID 1939312
N-[1-(5-(4-Fluorobenzylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl]-4-methylbenzenesulphonamide
CID 53484188
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
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-(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

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzenesulfonamide (CID 53484190) is N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzenesulfonamide is CSCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccccc2)o1.
What is the InChIKey of N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzenesulfonamide?
The InChIKey is CBPCBRFBTRFSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S3/c1-27-12-11-17(23-29(24,25)16-9-7-15(20)8-10-16)18-21-22-19(26-18)28-13-14-5-3-2-4-6-14/h2-10,17,23H,11-13H2,1H3.
What are the key properties of N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzenesulfonamide?
N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzenesulfonamide has a molecular weight of 470.04 g/mol, XLogP of 4.79, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 53484190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).