2-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

C12H13FN4O3S — CID 102703815

IUPAC2-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(C2CCCN2)o1)c1ccccc1F
InChIInChI=1S/C12H13FN4O3S/c13-8-4-1-2-6-10(8)21(18,19)17-12-16-15-11(20-12)9-5-3-7-14-9/h1-2,4,6,9,14H,3,5,7H2,(H,16,17)
InChIKeyUKGIQHOVSHPIJU-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.43
Rot. Bonds4

About 2-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

2-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 102703815) has the molecular formula C12H13FN4O3S and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID102703815
Molecular FormulaC12H13FN4O3S
Molecular Weight312.33 g/mol
Exact Mass312.07
IUPAC Name2-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(C2CCCN2)o1)c1ccccc1F
InChIInChI=1S/C12H13FN4O3S/c13-8-4-1-2-6-10(8)21(18,19)17-12-16-15-11(20-12)9-5-3-7-14-9/h1-2,4,6,9,14H,3,5,7H2,(H,16,17)
InChIKeyUKGIQHOVSHPIJU-UHFFFAOYSA-N
XLogP1.43
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 102703815) is 2-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nnc(C2CCCN2)o1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is UKGIQHOVSHPIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O3S/c13-8-4-1-2-6-10(8)21(18,19)17-12-16-15-11(20-12)9-5-3-7-14-9/h1-2,4,6,9,14H,3,5,7H2,(H,16,17).
What are the key properties of 2-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
2-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 312.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 102703815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).