N-methyl-3-[5-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide

C17H16N4O4S — CID 167868529

IUPACN-methyl-3-[5-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(-c2noc(-c3cc4c([nH]c3=O)CCC4)n2)c1
InChIInChI=1S/C17H16N4O4S/c1-18-26(23,24)12-6-2-5-11(8-12)15-20-17(25-21-15)13-9-10-4-3-7-14(10)19-16(13)22/h2,5-6,8-9,18H,3-4,7H2,1H3,(H,19,22)
InChIKeyQFKMZLGMZGQMSU-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.49
Rot. Bonds4

About N-methyl-3-[5-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide

N-methyl-3-[5-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 167868529) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-methyl-3-[5-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[5-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
PubChem CID167868529
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC NameN-methyl-3-[5-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(-c2noc(-c3cc4c([nH]c3=O)CCC4)n2)c1
InChIInChI=1S/C17H16N4O4S/c1-18-26(23,24)12-6-2-5-11(8-12)15-20-17(25-21-15)13-9-10-4-3-7-14(10)19-16(13)22/h2,5-6,8-9,18H,3-4,7H2,1H3,(H,19,22)
InChIKeyQFKMZLGMZGQMSU-UHFFFAOYSA-N
XLogP1.49
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The IUPAC name of N-methyl-3-[5-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (CID 167868529) is N-methyl-3-[5-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[5-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[5-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is CNS(=O)(=O)c1cccc(-c2noc(-c3cc4c([nH]c3=O)CCC4)n2)c1.
What is the InChIKey of N-methyl-3-[5-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The InChIKey is QFKMZLGMZGQMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-18-26(23,24)12-6-2-5-11(8-12)15-20-17(25-21-15)13-9-10-4-3-7-14(10)19-16(13)22/h2,5-6,8-9,18H,3-4,7H2,1H3,(H,19,22).
What are the key properties of N-methyl-3-[5-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
N-methyl-3-[5-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 372.41 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[5-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 167868529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).