4-(difluoromethyl)-3-ethylsulfonyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

C14H15F2N3O4S — CID 135371051

IUPAC4-(difluoromethyl)-3-ethylsulfonyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCS(=O)(=O)c1c(C(F)F)ccc(C(=O)Nc2nnc(C)o2)c1C
InChIInChI=1S/C14H15F2N3O4S/c1-4-24(21,22)11-7(2)9(5-6-10(11)12(15)16)13(20)17-14-19-18-8(3)23-14/h5-6,12H,4H2,1-3H3,(H,17,19,20)
InChIKeyPKQYVOWUYJWLSY-UHFFFAOYSA-N
MW359.35 g/mol
LogP2.67
Rot. Bonds5

About 4-(difluoromethyl)-3-ethylsulfonyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

4-(difluoromethyl)-3-ethylsulfonyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 135371051) has the molecular formula C14H15F2N3O4S and a molecular weight of 359.35 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-ethylsulfonyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethyl)-3-ethylsulfonyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID135371051
Molecular FormulaC14H15F2N3O4S
Molecular Weight359.35 g/mol
Exact Mass359.08
IUPAC Name4-(difluoromethyl)-3-ethylsulfonyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCS(=O)(=O)c1c(C(F)F)ccc(C(=O)Nc2nnc(C)o2)c1C
InChIInChI=1S/C14H15F2N3O4S/c1-4-24(21,22)11-7(2)9(5-6-10(11)12(15)16)13(20)17-14-19-18-8(3)23-14/h5-6,12H,4H2,1-3H3,(H,17,19,20)
InChIKeyPKQYVOWUYJWLSY-UHFFFAOYSA-N
XLogP2.67
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-ethylsulfonyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-(difluoromethyl)-3-ethylsulfonyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 135371051) is 4-(difluoromethyl)-3-ethylsulfonyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(difluoromethyl)-3-ethylsulfonyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-(difluoromethyl)-3-ethylsulfonyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is CCS(=O)(=O)c1c(C(F)F)ccc(C(=O)Nc2nnc(C)o2)c1C.
What is the InChIKey of 4-(difluoromethyl)-3-ethylsulfonyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is PKQYVOWUYJWLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O4S/c1-4-24(21,22)11-7(2)9(5-6-10(11)12(15)16)13(20)17-14-19-18-8(3)23-14/h5-6,12H,4H2,1-3H3,(H,17,19,20).
What are the key properties of 4-(difluoromethyl)-3-ethylsulfonyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
4-(difluoromethyl)-3-ethylsulfonyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 359.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-ethylsulfonyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 135371051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).