1-[4-(benzenesulfonyl)phenyl]piperazine

C16H18N2O2S — CID 5113605

IUPAC1-[4-(benzenesulfonyl)phenyl]piperazine
SMILESO=S(=O)(c1ccccc1)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C16H18N2O2S/c19-21(20,15-4-2-1-3-5-15)16-8-6-14(7-9-16)18-12-10-17-11-13-18/h1-9,17H,10-13H2
InChIKeySZAOHADKAZDUGT-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.93
Rot. Bonds3

About 1-[4-(benzenesulfonyl)phenyl]piperazine

1-[4-(benzenesulfonyl)phenyl]piperazine (PubChem CID 5113605) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)phenyl]piperazine
PubChem CID5113605
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-[4-(benzenesulfonyl)phenyl]piperazine
SMILESO=S(=O)(c1ccccc1)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C16H18N2O2S/c19-21(20,15-4-2-1-3-5-15)16-8-6-14(7-9-16)18-12-10-17-11-13-18/h1-9,17H,10-13H2
InChIKeySZAOHADKAZDUGT-UHFFFAOYSA-N
XLogP1.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)phenyl]piperazine?
The IUPAC name of 1-[4-(benzenesulfonyl)phenyl]piperazine (CID 5113605) is 1-[4-(benzenesulfonyl)phenyl]piperazine.
What is the SMILES notation for 1-[4-(benzenesulfonyl)phenyl]piperazine?
The canonical SMILES for 1-[4-(benzenesulfonyl)phenyl]piperazine is O=S(=O)(c1ccccc1)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-[4-(benzenesulfonyl)phenyl]piperazine?
The InChIKey is SZAOHADKAZDUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-21(20,15-4-2-1-3-5-15)16-8-6-14(7-9-16)18-12-10-17-11-13-18/h1-9,17H,10-13H2.
What are the key properties of 1-[4-(benzenesulfonyl)phenyl]piperazine?
1-[4-(benzenesulfonyl)phenyl]piperazine has a molecular weight of 302.40 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)phenyl]piperazine is sourced from PubChem (CID 5113605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).