3-fluoro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C16H12FN3O4S — CID 7578150

IUPAC3-fluoro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2cccc(F)c2)o1
InChIInChI=1S/C16H12FN3O4S/c1-25(22,23)13-8-3-2-7-12(13)15-19-20-16(24-15)18-14(21)10-5-4-6-11(17)9-10/h2-9H,1H3,(H,18,20,21)
InChIKeyVFNNEDYJWRFYJX-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.53
Rot. Bonds4

About 3-fluoro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

3-fluoro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 7578150) has the molecular formula C16H12FN3O4S and a molecular weight of 361.35 g/mol. Its IUPAC name is 3-fluoro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID7578150
Molecular FormulaC16H12FN3O4S
Molecular Weight361.35 g/mol
Exact Mass361.05
IUPAC Name3-fluoro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2cccc(F)c2)o1
InChIInChI=1S/C16H12FN3O4S/c1-25(22,23)13-8-3-2-7-12(13)15-19-20-16(24-15)18-14(21)10-5-4-6-11(17)9-10/h2-9H,1H3,(H,18,20,21)
InChIKeyVFNNEDYJWRFYJX-UHFFFAOYSA-N
XLogP2.53
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-butoxy-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578184
4-(dimethylamino)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7553131
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
CID 7533241
2-methyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578185
2,5-dimethyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide
CID 43978186
4-ethoxy-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578193
2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18576963
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972074
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43971804
N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
CID 42110849
3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43971814
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16822896

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 7578150) is 3-fluoro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2cccc(F)c2)o1.
What is the InChIKey of 3-fluoro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is VFNNEDYJWRFYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O4S/c1-25(22,23)13-8-3-2-7-12(13)15-19-20-16(24-15)18-14(21)10-5-4-6-11(17)9-10/h2-9H,1H3,(H,18,20,21).
What are the key properties of 3-fluoro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
3-fluoro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 361.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 7578150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).