N-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide

C11H11ClFN3O3S2 — CID 1438565

IUPACN-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nnc(SCc2c(F)cccc2Cl)o1
InChIInChI=1S/C11H11ClFN3O3S2/c1-21(17,18)14-5-10-15-16-11(19-10)20-6-7-8(12)3-2-4-9(7)13/h2-4,14H,5-6H2,1H3
InChIKeyCWMHYASFNSBFOP-UHFFFAOYSA-N
MW351.81 g/mol
LogP2.20
Rot. Bonds6

About N-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide

N-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide (PubChem CID 1438565) has the molecular formula C11H11ClFN3O3S2 and a molecular weight of 351.81 g/mol. Its IUPAC name is N-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
PubChem CID1438565
Molecular FormulaC11H11ClFN3O3S2
Molecular Weight351.81 g/mol
Exact Mass350.99
IUPAC NameN-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nnc(SCc2c(F)cccc2Cl)o1
InChIInChI=1S/C11H11ClFN3O3S2/c1-21(17,18)14-5-10-15-16-11(19-10)20-6-7-8(12)3-2-4-9(7)13/h2-4,14H,5-6H2,1H3
InChIKeyCWMHYASFNSBFOP-UHFFFAOYSA-N
XLogP2.20
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide (CID 1438565) is N-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1nnc(SCc2c(F)cccc2Cl)o1.
What is the InChIKey of N-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide?
The InChIKey is CWMHYASFNSBFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O3S2/c1-21(17,18)14-5-10-15-16-11(19-10)20-6-7-8(12)3-2-4-9(7)13/h2-4,14H,5-6H2,1H3.
What are the key properties of N-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide?
N-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide has a molecular weight of 351.81 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 1438565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).