2,5-difluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide

C11H11F2N3O5S2 — CID 9186119

IUPAC2,5-difluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1cc(F)ccc1F)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C11H11F2N3O5S2/c1-6(10-14-15-11(21-10)22(2,17)18)16-23(19,20)9-5-7(12)3-4-8(9)13/h3-6,16H,1-2H3/t6-/m0/s1
InChIKeyBOBMSZJTWZPXRY-LURJTMIESA-N
MW367.36 g/mol
LogP0.79
Rot. Bonds5

About 2,5-difluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide

2,5-difluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 9186119) has the molecular formula C11H11F2N3O5S2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 2,5-difluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID9186119
Molecular FormulaC11H11F2N3O5S2
Molecular Weight367.36 g/mol
Exact Mass367.01
IUPAC Name2,5-difluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1cc(F)ccc1F)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C11H11F2N3O5S2/c1-6(10-14-15-11(21-10)22(2,17)18)16-23(19,20)9-5-7(12)3-4-8(9)13/h3-6,16H,1-2H3/t6-/m0/s1
InChIKeyBOBMSZJTWZPXRY-LURJTMIESA-N
XLogP0.79
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,5-difluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide with MolForge

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Related Compounds

3-fluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 9186371
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79255910
3-chloro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 9186384
4-chloro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide
CID 9186603
N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863
3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76934796
2-methylsulfonyl-5-propan-2-yl-1,3,4-oxadiazole
CID 54510797
2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
CID 71911251
1-(2-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 9186133
2-chloro-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-methylsulfonylbenzenesulfonamide
CID 97009359
2-(2,4-dichlorophenoxy)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 9186538

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (CID 9186119) is 2,5-difluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1cc(F)ccc1F)c1nnc(S(C)(=O)=O)o1.
What is the InChIKey of 2,5-difluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is BOBMSZJTWZPXRY-LURJTMIESA-N. The full InChI is InChI=1S/C11H11F2N3O5S2/c1-6(10-14-15-11(21-10)22(2,17)18)16-23(19,20)9-5-7(12)3-4-8(9)13/h3-6,16H,1-2H3/t6-/m0/s1.
What are the key properties of 2,5-difluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
2,5-difluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 367.36 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 9186119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).