2,4-difluoro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide

C14H9F2N3O3S — CID 2740544

IUPAC2,4-difluoro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nnco2)c1)c1ccc(F)cc1F
InChIInChI=1S/C14H9F2N3O3S/c15-10-4-5-13(12(16)7-10)23(20,21)19-11-3-1-2-9(6-11)14-18-17-8-22-14/h1-8,19H
InChIKeyVYSOHTRYWZKSGJ-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.82
Rot. Bonds4

About 2,4-difluoro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide

2,4-difluoro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 2740544) has the molecular formula C14H9F2N3O3S and a molecular weight of 337.31 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
PubChem CID2740544
Molecular FormulaC14H9F2N3O3S
Molecular Weight337.31 g/mol
Exact Mass337.03
IUPAC Name2,4-difluoro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nnco2)c1)c1ccc(F)cc1F
InChIInChI=1S/C14H9F2N3O3S/c15-10-4-5-13(12(16)7-10)23(20,21)19-11-3-1-2-9(6-11)14-18-17-8-22-14/h1-8,19H
InChIKeyVYSOHTRYWZKSGJ-UHFFFAOYSA-N
XLogP2.82
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide (CID 2740544) is 2,4-difluoro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-c2nnco2)c1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is VYSOHTRYWZKSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O3S/c15-10-4-5-13(12(16)7-10)23(20,21)19-11-3-1-2-9(6-11)14-18-17-8-22-14/h1-8,19H.
What are the key properties of 2,4-difluoro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
2,4-difluoro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 337.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2740544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).