2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfinylbenzamide

C11H8Cl2FN3O3S — CID 135345838

IUPAC2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfinylbenzamide
SMILESCc1nnc(NC(=O)c2c(F)cc(Cl)c(S(C)=O)c2Cl)o1
InChIInChI=1S/C11H8Cl2FN3O3S/c1-4-16-17-11(20-4)15-10(18)7-6(14)3-5(12)9(8(7)13)21(2)19/h3H,1-2H3,(H,15,17,18)
InChIKeyQFKMOVPIZMPEHC-UHFFFAOYSA-N
MW352.17 g/mol
LogP2.81
Rot. Bonds3

About 2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfinylbenzamide

2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfinylbenzamide (PubChem CID 135345838) has the molecular formula C11H8Cl2FN3O3S and a molecular weight of 352.17 g/mol. Its IUPAC name is 2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfinylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfinylbenzamide
PubChem CID135345838
Molecular FormulaC11H8Cl2FN3O3S
Molecular Weight352.17 g/mol
Exact Mass350.96
IUPAC Name2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfinylbenzamide
SMILESCc1nnc(NC(=O)c2c(F)cc(Cl)c(S(C)=O)c2Cl)o1
InChIInChI=1S/C11H8Cl2FN3O3S/c1-4-16-17-11(20-4)15-10(18)7-6(14)3-5(12)9(8(7)13)21(2)19/h3H,1-2H3,(H,15,17,18)
InChIKeyQFKMOVPIZMPEHC-UHFFFAOYSA-N
XLogP2.81
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.17
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfinylbenzamide?
The IUPAC name of 2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfinylbenzamide (CID 135345838) is 2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfinylbenzamide.
What is the SMILES notation for 2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfinylbenzamide?
The canonical SMILES for 2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfinylbenzamide is Cc1nnc(NC(=O)c2c(F)cc(Cl)c(S(C)=O)c2Cl)o1.
What is the InChIKey of 2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfinylbenzamide?
The InChIKey is QFKMOVPIZMPEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FN3O3S/c1-4-16-17-11(20-4)15-10(18)7-6(14)3-5(12)9(8(7)13)21(2)19/h3H,1-2H3,(H,15,17,18).
What are the key properties of 2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfinylbenzamide?
2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfinylbenzamide has a molecular weight of 352.17 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfinylbenzamide is sourced from PubChem (CID 135345838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).