4-phenoxy-N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide

C20H21N5O3S — CID 57444253

IUPAC4-phenoxy-N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1N1CCNCC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H21N5O3S/c26-29(27,18-8-6-17(7-9-18)28-16-4-2-1-3-5-16)24-19-20(23-11-10-22-19)25-14-12-21-13-15-25/h1-11,21H,12-15H2,(H,22,24)
InChIKeyQTWNVDXEEXERMH-UHFFFAOYSA-N
MW411.49 g/mol
LogP2.48
Rot. Bonds6

About 4-phenoxy-N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide

4-phenoxy-N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide (PubChem CID 57444253) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is 4-phenoxy-N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-phenoxy-N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide
PubChem CID57444253
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC Name4-phenoxy-N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1N1CCNCC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H21N5O3S/c26-29(27,18-8-6-17(7-9-18)28-16-4-2-1-3-5-16)24-19-20(23-11-10-22-19)25-14-12-21-13-15-25/h1-11,21H,12-15H2,(H,22,24)
InChIKeyQTWNVDXEEXERMH-UHFFFAOYSA-N
XLogP2.48
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide?
The IUPAC name of 4-phenoxy-N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide (CID 57444253) is 4-phenoxy-N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-phenoxy-N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-phenoxy-N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccnc1N1CCNCC1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxy-N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide?
The InChIKey is QTWNVDXEEXERMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c26-29(27,18-8-6-17(7-9-18)28-16-4-2-1-3-5-16)24-19-20(23-11-10-22-19)25-14-12-21-13-15-25/h1-11,21H,12-15H2,(H,22,24).
What are the key properties of 4-phenoxy-N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide?
4-phenoxy-N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide has a molecular weight of 411.49 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 57444253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).