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

C17H15BrClN3O3S2 — CID 53484207

IUPACN-[1-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-chlorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccc(Br)cc2)o1
InChIInChI=1S/C17H15BrClN3O3S2/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
InChIKeyOKWSIBHFSYLBRZ-UHFFFAOYSA-N
MW488.82 g/mol
LogP4.82
Rot. Bonds7

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

N-[1-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-chlorobenzenesulfonamide (PubChem CID 53484207) has the molecular formula C17H15BrClN3O3S2 and a molecular weight of 488.82 g/mol. Its IUPAC name is N-[1-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-chlorobenzenesulfonamide
PubChem CID53484207
Molecular FormulaC17H15BrClN3O3S2
Molecular Weight488.82 g/mol
Exact Mass486.94
IUPAC NameN-[1-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-chlorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccc(Br)cc2)o1
InChIInChI=1S/C17H15BrClN3O3S2/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
InChIKeyOKWSIBHFSYLBRZ-UHFFFAOYSA-N
XLogP4.82
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.82
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[1-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-chlorobenzenesulfonamide (CID 53484207) is N-[1-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[1-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[1-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-chlorobenzenesulfonamide is CC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccc(Br)cc2)o1.
What is the InChIKey of N-[1-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-chlorobenzenesulfonamide?
The InChIKey is OKWSIBHFSYLBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN3O3S2/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 N-[1-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-chlorobenzenesulfonamide?
N-[1-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-chlorobenzenesulfonamide has a molecular weight of 488.82 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 53484207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).