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

C14H17N5O2S — CID 142692187

IUPACN-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1N1CCNCC1)c1ccccc1
InChIInChI=1S/C14H17N5O2S/c20-22(21,12-4-2-1-3-5-12)18-13-14(17-7-6-16-13)19-10-8-15-9-11-19/h1-7,15H,8-11H2,(H,16,18)
InChIKeyXONUBWCOOMLKQC-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.69
Rot. Bonds4

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

N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide (PubChem CID 142692187) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide
PubChem CID142692187
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC NameN-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1N1CCNCC1)c1ccccc1
InChIInChI=1S/C14H17N5O2S/c20-22(21,12-4-2-1-3-5-12)18-13-14(17-7-6-16-13)19-10-8-15-9-11-19/h1-7,15H,8-11H2,(H,16,18)
InChIKeyXONUBWCOOMLKQC-UHFFFAOYSA-N
XLogP0.69
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide?
The IUPAC name of N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide (CID 142692187) is N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccnc1N1CCNCC1)c1ccccc1.
What is the InChIKey of N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide?
The InChIKey is XONUBWCOOMLKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c20-22(21,12-4-2-1-3-5-12)18-13-14(17-7-6-16-13)19-10-8-15-9-11-19/h1-7,15H,8-11H2,(H,16,18).
What are the key properties of N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide?
N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide has a molecular weight of 319.39 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 142692187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).