3-cyano-N-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzenesulfonamide

C22H15FN4O4S — CID 50844261

IUPAC3-cyano-N-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(OCc3nnc(-c4ccc(F)cc4)o3)cc2)c1
InChIInChI=1S/C22H15FN4O4S/c23-17-6-4-16(5-7-17)22-26-25-21(31-22)14-30-19-10-8-18(9-11-19)27-32(28,29)20-3-1-2-15(12-20)13-24/h1-12,27H,14H2
InChIKeyOPCGJQVGRCUDLP-UHFFFAOYSA-N
MW450.45 g/mol
LogP4.13
Rot. Bonds7

About 3-cyano-N-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzenesulfonamide

3-cyano-N-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzenesulfonamide (PubChem CID 50844261) has the molecular formula C22H15FN4O4S and a molecular weight of 450.45 g/mol. Its IUPAC name is 3-cyano-N-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzenesulfonamide
PubChem CID50844261
Molecular FormulaC22H15FN4O4S
Molecular Weight450.45 g/mol
Exact Mass450.08
IUPAC Name3-cyano-N-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(OCc3nnc(-c4ccc(F)cc4)o3)cc2)c1
InChIInChI=1S/C22H15FN4O4S/c23-17-6-4-16(5-7-17)22-26-25-21(31-22)14-30-19-10-8-18(9-11-19)27-32(28,29)20-3-1-2-15(12-20)13-24/h1-12,27H,14H2
InChIKeyOPCGJQVGRCUDLP-UHFFFAOYSA-N
XLogP4.13
TPSA118.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-cyano-N-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzenesulfonamide with MolForge

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Related Compounds

4-cyano-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]benzenesulfonamide
CID 50844230
3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide
CID 66905539
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
3-cyano-N-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]benzenesulfonamide
CID 53132361
N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide
CID 112989988
N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
CID 103775599
4-[(3-cyanophenyl)sulfonylamino]benzoate
CID 8015569
4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725588
3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321156
N-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60823219
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-nitrobenzenesulfonamide
CID 110319229
3-cyano-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]benzenesulfonamide
CID 134027999

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzenesulfonamide (CID 50844261) is 3-cyano-N-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2ccc(OCc3nnc(-c4ccc(F)cc4)o3)cc2)c1.
What is the InChIKey of 3-cyano-N-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzenesulfonamide?
The InChIKey is OPCGJQVGRCUDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O4S/c23-17-6-4-16(5-7-17)22-26-25-21(31-22)14-30-19-10-8-18(9-11-19)27-32(28,29)20-3-1-2-15(12-20)13-24/h1-12,27H,14H2.
What are the key properties of 3-cyano-N-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzenesulfonamide?
3-cyano-N-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzenesulfonamide has a molecular weight of 450.45 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 50844261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).