4-[5-(1-piperidin-4-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide

C16H18N6O3S — CID 167785933

IUPAC4-[5-(1-piperidin-4-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2noc(-c3ccn(C4CCNCC4)n3)n2)cc1
InChIInChI=1S/C16H18N6O3S/c17-26(23,24)13-3-1-11(2-4-13)15-19-16(25-21-15)14-7-10-22(20-14)12-5-8-18-9-6-12/h1-4,7,10,12,18H,5-6,8-9H2,(H2,17,23,24)
InChIKeySAJVTXNTFGZOEY-UHFFFAOYSA-N
MW374.43 g/mol
LogP1.17
Rot. Bonds4

About 4-[5-(1-piperidin-4-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide

4-[5-(1-piperidin-4-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 167785933) has the molecular formula C16H18N6O3S and a molecular weight of 374.43 g/mol. Its IUPAC name is 4-[5-(1-piperidin-4-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(1-piperidin-4-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
PubChem CID167785933
Molecular FormulaC16H18N6O3S
Molecular Weight374.43 g/mol
Exact Mass374.12
IUPAC Name4-[5-(1-piperidin-4-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2noc(-c3ccn(C4CCNCC4)n3)n2)cc1
InChIInChI=1S/C16H18N6O3S/c17-26(23,24)13-3-1-11(2-4-13)15-19-16(25-21-15)14-7-10-22(20-14)12-5-8-18-9-6-12/h1-4,7,10,12,18H,5-6,8-9H2,(H2,17,23,24)
InChIKeySAJVTXNTFGZOEY-UHFFFAOYSA-N
XLogP1.17
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-piperidin-4-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(1-piperidin-4-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (CID 167785933) is 4-[5-(1-piperidin-4-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(1-piperidin-4-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(1-piperidin-4-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2noc(-c3ccn(C4CCNCC4)n3)n2)cc1.
What is the InChIKey of 4-[5-(1-piperidin-4-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The InChIKey is SAJVTXNTFGZOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3S/c17-26(23,24)13-3-1-11(2-4-13)15-19-16(25-21-15)14-7-10-22(20-14)12-5-8-18-9-6-12/h1-4,7,10,12,18H,5-6,8-9H2,(H2,17,23,24).
What are the key properties of 4-[5-(1-piperidin-4-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
4-[5-(1-piperidin-4-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 374.43 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-piperidin-4-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 167785933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).