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

C17H16ClN3O3S2 — CID 71590209

IUPACN-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-chlorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccccc2)o1
InChIInChI=1S/C17H16ClN3O3S2/c1-12(21-26(22,23)15-9-7-14(18)8-10-15)16-19-20-17(24-16)25-11-13-5-3-2-4-6-13/h2-10,12,21H,11H2,1H3
InChIKeyKYPQNXRTCPGVDD-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.05
Rot. Bonds7

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

N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-chlorobenzenesulfonamide (PubChem CID 71590209) has the molecular formula C17H16ClN3O3S2 and a molecular weight of 409.92 g/mol. Its IUPAC name is N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-chlorobenzenesulfonamide
PubChem CID71590209
Molecular FormulaC17H16ClN3O3S2
Molecular Weight409.92 g/mol
Exact Mass409.03
IUPAC NameN-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-chlorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccccc2)o1
InChIInChI=1S/C17H16ClN3O3S2/c1-12(21-26(22,23)15-9-7-14(18)8-10-15)16-19-20-17(24-16)25-11-13-5-3-2-4-6-13/h2-10,12,21H,11H2,1H3
InChIKeyKYPQNXRTCPGVDD-UHFFFAOYSA-N
XLogP4.05
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-chlorobenzenesulfonamide (CID 71590209) is N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-chlorobenzenesulfonamide is CC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccccc2)o1.
What is the InChIKey of N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-chlorobenzenesulfonamide?
The InChIKey is KYPQNXRTCPGVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S2/c1-12(21-26(22,23)15-9-7-14(18)8-10-15)16-19-20-17(24-16)25-11-13-5-3-2-4-6-13/h2-10,12,21H,11H2,1H3.
What are the key properties of N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-chlorobenzenesulfonamide?
N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-chlorobenzenesulfonamide has a molecular weight of 409.92 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 71590209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).