N-benzyl-4-[5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide

C21H24N4O5S2 — CID 652610

IUPACN-benzyl-4-[5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESCS(=O)(=O)N1CCCC(c2nc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)no2)C1
InChIInChI=1S/C21H24N4O5S2/c1-31(26,27)25-13-5-8-18(15-25)21-23-20(24-30-21)17-9-11-19(12-10-17)32(28,29)22-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18,22H,5,8,13-15H2,1H3
InChIKeyYBOFYBXHDLJFCJ-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.35
Rot. Bonds7

About N-benzyl-4-[5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide

N-benzyl-4-[5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 652610) has the molecular formula C21H24N4O5S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-benzyl-4-[5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-[5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
PubChem CID652610
Molecular FormulaC21H24N4O5S2
Molecular Weight476.58 g/mol
Exact Mass476.12
IUPAC NameN-benzyl-4-[5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESCS(=O)(=O)N1CCCC(c2nc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)no2)C1
InChIInChI=1S/C21H24N4O5S2/c1-31(26,27)25-13-5-8-18(15-25)21-23-20(24-30-21)17-9-11-19(12-10-17)32(28,29)22-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18,22H,5,8,13-15H2,1H3
InChIKeyYBOFYBXHDLJFCJ-UHFFFAOYSA-N
XLogP2.35
TPSA122.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-[5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (CID 652610) is N-benzyl-4-[5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-[5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-[5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is CS(=O)(=O)N1CCCC(c2nc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)no2)C1.
What is the InChIKey of N-benzyl-4-[5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The InChIKey is YBOFYBXHDLJFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S2/c1-31(26,27)25-13-5-8-18(15-25)21-23-20(24-30-21)17-9-11-19(12-10-17)32(28,29)22-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18,22H,5,8,13-15H2,1H3.
What are the key properties of N-benzyl-4-[5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
N-benzyl-4-[5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 476.58 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 652610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).