N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide

C17H13F2N3O4S — CID 43977940

IUPACN-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide
SMILESCCS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccc(F)cc3F)o2)cc1
InChIInChI=1S/C17H13F2N3O4S/c1-2-27(24,25)12-6-3-10(4-7-12)16-21-22-17(26-16)20-15(23)13-8-5-11(18)9-14(13)19/h3-9H,2H2,1H3,(H,20,22,23)
InChIKeyRQRDWZSEWSWQHK-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.06
Rot. Bonds5

About N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide

N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide (PubChem CID 43977940) has the molecular formula C17H13F2N3O4S and a molecular weight of 393.37 g/mol. Its IUPAC name is N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide
PubChem CID43977940
Molecular FormulaC17H13F2N3O4S
Molecular Weight393.37 g/mol
Exact Mass393.06
IUPAC NameN-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide
SMILESCCS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccc(F)cc3F)o2)cc1
InChIInChI=1S/C17H13F2N3O4S/c1-2-27(24,25)12-6-3-10(4-7-12)16-21-22-17(26-16)20-15(23)13-8-5-11(18)9-14(13)19/h3-9H,2H2,1H3,(H,20,22,23)
InChIKeyRQRDWZSEWSWQHK-UHFFFAOYSA-N
XLogP3.06
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichloro-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977959
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 43978010
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfanylbenzamide
CID 43978062
4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854620
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 43978016
2,4-difluoro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977353
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-nitrobenzamide
CID 43978011
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43978018
2-(4-chlorophenyl)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43978157
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide
CID 43973703
4-ethylsulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7579515
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43978019

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide (CID 43977940) is N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide is CCS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccc(F)cc3F)o2)cc1.
What is the InChIKey of N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide?
The InChIKey is RQRDWZSEWSWQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O4S/c1-2-27(24,25)12-6-3-10(4-7-12)16-21-22-17(26-16)20-15(23)13-8-5-11(18)9-14(13)19/h3-9H,2H2,1H3,(H,20,22,23).
What are the key properties of N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide?
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide has a molecular weight of 393.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide is sourced from PubChem (CID 43977940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).