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

C14H17FN4O3S — CID 136546058

IUPAC3-fluoro-N-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC(c3nc(C)no3)C2)c(F)c1
InChIInChI=1S/C14H17FN4O3S/c1-9-17-14(22-18-9)10-5-6-19(8-10)13-4-3-11(7-12(13)15)23(20,21)16-2/h3-4,7,10,16H,5-6,8H2,1-2H3
InChIKeyOHJILPYOTJHOEW-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.42
Rot. Bonds4

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

3-fluoro-N-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]benzenesulfonamide (PubChem CID 136546058) has the molecular formula C14H17FN4O3S and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]benzenesulfonamide
PubChem CID136546058
Molecular FormulaC14H17FN4O3S
Molecular Weight340.38 g/mol
Exact Mass340.10
IUPAC Name3-fluoro-N-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC(c3nc(C)no3)C2)c(F)c1
InChIInChI=1S/C14H17FN4O3S/c1-9-17-14(22-18-9)10-5-6-19(8-10)13-4-3-11(7-12(13)15)23(20,21)16-2/h3-4,7,10,16H,5-6,8H2,1-2H3
InChIKeyOHJILPYOTJHOEW-UHFFFAOYSA-N
XLogP1.42
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]benzenesulfonamide (CID 136546058) is 3-fluoro-N-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]benzenesulfonamide is CNS(=O)(=O)c1ccc(N2CCC(c3nc(C)no3)C2)c(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]benzenesulfonamide?
The InChIKey is OHJILPYOTJHOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O3S/c1-9-17-14(22-18-9)10-5-6-19(8-10)13-4-3-11(7-12(13)15)23(20,21)16-2/h3-4,7,10,16H,5-6,8H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]benzenesulfonamide?
3-fluoro-N-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]benzenesulfonamide has a molecular weight of 340.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 136546058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).