2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonylbenzamide

C13H12ClF2N3O5S — CID 166505021

IUPAC2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonylbenzamide
SMILESCc1nnc(NC(=O)c2ccc(OCC(F)F)c(S(C)(=O)=O)c2Cl)o1
InChIInChI=1S/C13H12ClF2N3O5S/c1-6-18-19-13(24-6)17-12(20)7-3-4-8(23-5-9(15)16)11(10(7)14)25(2,21)22/h3-4,9H,5H2,1-2H3,(H,17,19,20)
InChIKeyYCDCXTPGGHBVPW-UHFFFAOYSA-N
MW395.77 g/mol
LogP2.33
Rot. Bonds6

About 2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonylbenzamide

2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonylbenzamide (PubChem CID 166505021) has the molecular formula C13H12ClF2N3O5S and a molecular weight of 395.77 g/mol. Its IUPAC name is 2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonylbenzamide
PubChem CID166505021
Molecular FormulaC13H12ClF2N3O5S
Molecular Weight395.77 g/mol
Exact Mass395.02
IUPAC Name2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonylbenzamide
SMILESCc1nnc(NC(=O)c2ccc(OCC(F)F)c(S(C)(=O)=O)c2Cl)o1
InChIInChI=1S/C13H12ClF2N3O5S/c1-6-18-19-13(24-6)17-12(20)7-3-4-8(23-5-9(15)16)11(10(7)14)25(2,21)22/h3-4,9H,5H2,1-2H3,(H,17,19,20)
InChIKeyYCDCXTPGGHBVPW-UHFFFAOYSA-N
XLogP2.33
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.77
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonylbenzamide (CID 166505021) is 2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonylbenzamide is Cc1nnc(NC(=O)c2ccc(OCC(F)F)c(S(C)(=O)=O)c2Cl)o1.
What is the InChIKey of 2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonylbenzamide?
The InChIKey is YCDCXTPGGHBVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N3O5S/c1-6-18-19-13(24-6)17-12(20)7-3-4-8(23-5-9(15)16)11(10(7)14)25(2,21)22/h3-4,9H,5H2,1-2H3,(H,17,19,20).
What are the key properties of 2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonylbenzamide?
2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonylbenzamide has a molecular weight of 395.77 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 166505021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).