2-chloro-4-(difluoromethyl)-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)benzamide

C11H8ClF2N3O3S — CID 170647994

IUPAC2-chloro-4-(difluoromethyl)-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)benzamide
SMILESCS(=O)c1c(C(F)F)ccc(C(=O)Nc2nnco2)c1Cl
InChIInChI=1S/C11H8ClF2N3O3S/c1-21(19)8-6(9(13)14)3-2-5(7(8)12)10(18)16-11-17-15-4-20-11/h2-4,9H,1H3,(H,16,17,18)
InChIKeyAMFABLMZNGHCBR-UHFFFAOYSA-N
MW335.72 g/mol
LogP2.65
Rot. Bonds4

About 2-chloro-4-(difluoromethyl)-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)benzamide

2-chloro-4-(difluoromethyl)-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 170647994) has the molecular formula C11H8ClF2N3O3S and a molecular weight of 335.72 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethyl)-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-(difluoromethyl)-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)benzamide
PubChem CID170647994
Molecular FormulaC11H8ClF2N3O3S
Molecular Weight335.72 g/mol
Exact Mass334.99
IUPAC Name2-chloro-4-(difluoromethyl)-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)benzamide
SMILESCS(=O)c1c(C(F)F)ccc(C(=O)Nc2nnco2)c1Cl
InChIInChI=1S/C11H8ClF2N3O3S/c1-21(19)8-6(9(13)14)3-2-5(7(8)12)10(18)16-11-17-15-4-20-11/h2-4,9H,1H3,(H,16,17,18)
InChIKeyAMFABLMZNGHCBR-UHFFFAOYSA-N
XLogP2.65
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.72
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(difluoromethyl)-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-4-(difluoromethyl)-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)benzamide (CID 170647994) is 2-chloro-4-(difluoromethyl)-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4-(difluoromethyl)-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-4-(difluoromethyl)-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)benzamide is CS(=O)c1c(C(F)F)ccc(C(=O)Nc2nnco2)c1Cl.
What is the InChIKey of 2-chloro-4-(difluoromethyl)-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is AMFABLMZNGHCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3O3S/c1-21(19)8-6(9(13)14)3-2-5(7(8)12)10(18)16-11-17-15-4-20-11/h2-4,9H,1H3,(H,16,17,18).
What are the key properties of 2-chloro-4-(difluoromethyl)-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)benzamide?
2-chloro-4-(difluoromethyl)-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 335.72 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethyl)-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 170647994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).