5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide

C12H14FN3O4S — CID 82916948

IUPAC5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
SMILESCC(C)c1nc(COc2ccc(F)cc2S(N)(=O)=O)no1
InChIInChI=1S/C12H14FN3O4S/c1-7(2)12-15-11(16-20-12)6-19-9-4-3-8(13)5-10(9)21(14,17)18/h3-5,7H,6H2,1-2H3,(H2,14,17,18)
InChIKeyCZKRVZRUYNLMRR-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.56
Rot. Bonds5

About 5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide

5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide (PubChem CID 82916948) has the molecular formula C12H14FN3O4S and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
PubChem CID82916948
Molecular FormulaC12H14FN3O4S
Molecular Weight315.33 g/mol
Exact Mass315.07
IUPAC Name5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
SMILESCC(C)c1nc(COc2ccc(F)cc2S(N)(=O)=O)no1
InChIInChI=1S/C12H14FN3O4S/c1-7(2)12-15-11(16-20-12)6-19-9-4-3-8(13)5-10(9)21(14,17)18/h3-5,7H,6H2,1-2H3,(H2,14,17,18)
InChIKeyCZKRVZRUYNLMRR-UHFFFAOYSA-N
XLogP1.56
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82916766
3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82910957
2-[5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 107700457
(1S)-1-[4-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78935724
3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82911303
1-[2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61497359
3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]naphthalen-2-ol
CID 61497370
2,3-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82922072
1-[5-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
CID 63325984
[4-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 61496889
1-[3-methoxy-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61497402
5-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde
CID 61497406

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide (CID 82916948) is 5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide is CC(C)c1nc(COc2ccc(F)cc2S(N)(=O)=O)no1.
What is the InChIKey of 5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide?
The InChIKey is CZKRVZRUYNLMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O4S/c1-7(2)12-15-11(16-20-12)6-19-9-4-3-8(13)5-10(9)21(14,17)18/h3-5,7H,6H2,1-2H3,(H2,14,17,18).
What are the key properties of 5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide?
5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide has a molecular weight of 315.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 82916948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).