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

C17H13FN4O3S — CID 52508997

IUPAC3-cyano-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C17H13FN4O3S/c1-11(22-26(23,24)15-4-2-3-12(9-15)10-19)17-20-16(21-25-17)13-5-7-14(18)8-6-13/h2-9,11,22H,1H3/t11-/m1/s1
InChIKeyPYHSLJFLPLXCMQ-LLVKDONJSA-N
MW372.38 g/mol
LogP2.79
Rot. Bonds5

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

3-cyano-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide (PubChem CID 52508997) has the molecular formula C17H13FN4O3S and a molecular weight of 372.38 g/mol. Its IUPAC name is 3-cyano-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
PubChem CID52508997
Molecular FormulaC17H13FN4O3S
Molecular Weight372.38 g/mol
Exact Mass372.07
IUPAC Name3-cyano-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C17H13FN4O3S/c1-11(22-26(23,24)15-4-2-3-12(9-15)10-19)17-20-16(21-25-17)13-5-7-14(18)8-6-13/h2-9,11,22H,1H3/t11-/m1/s1
InChIKeyPYHSLJFLPLXCMQ-LLVKDONJSA-N
XLogP2.79
TPSA108.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-cyano-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 52508983
4-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 17101317
N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 92735234
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 166203944
4-chloro-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 92702056
3-cyano-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 47013218
3-cyano-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 42999070
N-[1-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 50822972
2-(2-cyanophenyl)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 49179532
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide
CID 46262831
N-but-3-en-2-yl-3-cyanobenzenesulfonamide
CID 103750108
4-methyl-N-[1-[3-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 171682385

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide (CID 52508997) is 3-cyano-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 3-cyano-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The InChIKey is PYHSLJFLPLXCMQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H13FN4O3S/c1-11(22-26(23,24)15-4-2-3-12(9-15)10-19)17-20-16(21-25-17)13-5-7-14(18)8-6-13/h2-9,11,22H,1H3/t11-/m1/s1.
What are the key properties of 3-cyano-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
3-cyano-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide has a molecular weight of 372.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 52508997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).