5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

C22H21N7O3S — CID 66745389

IUPAC5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
SMILESNc1ncc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H21N7O3S/c23-20-19(22-27-26-21(32-22)16-7-3-1-4-8-16)25-18(15-24-20)28-11-13-29(14-12-28)33(30,31)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H2,23,24)
InChIKeyMCYMDQXHUZFUEQ-UHFFFAOYSA-N
MW463.52 g/mol
LogP2.29
Rot. Bonds5

About 5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (PubChem CID 66745389) has the molecular formula C22H21N7O3S and a molecular weight of 463.52 g/mol. Its IUPAC name is 5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
PubChem CID66745389
Molecular FormulaC22H21N7O3S
Molecular Weight463.52 g/mol
Exact Mass463.14
IUPAC Name5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
SMILESNc1ncc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H21N7O3S/c23-20-19(22-27-26-21(32-22)16-7-3-1-4-8-16)25-18(15-24-20)28-11-13-29(14-12-28)33(30,31)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H2,23,24)
InChIKeyMCYMDQXHUZFUEQ-UHFFFAOYSA-N
XLogP2.29
TPSA131.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
The IUPAC name of 5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (CID 66745389) is 5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine is Nc1ncc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
The InChIKey is MCYMDQXHUZFUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3S/c23-20-19(22-27-26-21(32-22)16-7-3-1-4-8-16)25-18(15-24-20)28-11-13-29(14-12-28)33(30,31)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H2,23,24).
What are the key properties of 5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine has a molecular weight of 463.52 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 66745389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).