4-[(1S,3S)-3-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide

C15H17F2N3O3S — CID 130448706

IUPAC4-[(1S,3S)-3-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCC(F)(F)c1nc([C@H]2[C@H](c3ccc(S(N)(=O)=O)cc3)C2(C)C)no1
InChIInChI=1S/C15H17F2N3O3S/c1-14(2)10(8-4-6-9(7-5-8)24(18,21)22)11(14)12-19-13(23-20-12)15(3,16)17/h4-7,10-11H,1-3H3,(H2,18,21,22)/t10-,11+/m0/s1
InChIKeyWEIDDTAQCANVDJ-WDEREUQCSA-N
MW357.38 g/mol
LogP2.74
Rot. Bonds4

About 4-[(1S,3S)-3-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide

4-[(1S,3S)-3-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide (PubChem CID 130448706) has the molecular formula C15H17F2N3O3S and a molecular weight of 357.38 g/mol. Its IUPAC name is 4-[(1S,3S)-3-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1S,3S)-3-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
PubChem CID130448706
Molecular FormulaC15H17F2N3O3S
Molecular Weight357.38 g/mol
Exact Mass357.10
IUPAC Name4-[(1S,3S)-3-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCC(F)(F)c1nc([C@H]2[C@H](c3ccc(S(N)(=O)=O)cc3)C2(C)C)no1
InChIInChI=1S/C15H17F2N3O3S/c1-14(2)10(8-4-6-9(7-5-8)24(18,21)22)11(14)12-19-13(23-20-12)15(3,16)17/h4-7,10-11H,1-3H3,(H2,18,21,22)/t10-,11+/m0/s1
InChIKeyWEIDDTAQCANVDJ-WDEREUQCSA-N
XLogP2.74
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,3S)-3-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[(1S,3S)-3-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide (CID 130448706) is 4-[(1S,3S)-3-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1S,3S)-3-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[(1S,3S)-3-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide is CC(F)(F)c1nc([C@H]2[C@H](c3ccc(S(N)(=O)=O)cc3)C2(C)C)no1.
What is the InChIKey of 4-[(1S,3S)-3-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The InChIKey is WEIDDTAQCANVDJ-WDEREUQCSA-N. The full InChI is InChI=1S/C15H17F2N3O3S/c1-14(2)10(8-4-6-9(7-5-8)24(18,21)22)11(14)12-19-13(23-20-12)15(3,16)17/h4-7,10-11H,1-3H3,(H2,18,21,22)/t10-,11+/m0/s1.
What are the key properties of 4-[(1S,3S)-3-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
4-[(1S,3S)-3-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide has a molecular weight of 357.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,3S)-3-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide is sourced from PubChem (CID 130448706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).