1-(4-phenylphenyl)sulfonylpiperazine

C16H18N2O2S — CID 4738863

IUPAC1-(4-phenylphenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C16H18N2O2S/c19-21(20,18-12-10-17-11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17H,10-13H2
InChIKeyDQAOIKYZBKRVBQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.95
Rot. Bonds3

About 1-(4-phenylphenyl)sulfonylpiperazine

1-(4-phenylphenyl)sulfonylpiperazine (PubChem CID 4738863) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(4-phenylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-phenylphenyl)sulfonylpiperazine
PubChem CID4738863
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-(4-phenylphenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C16H18N2O2S/c19-21(20,18-12-10-17-11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17H,10-13H2
InChIKeyDQAOIKYZBKRVBQ-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-phenylphenyl)sulfonylpiperazine (CID 4738863) is 1-(4-phenylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-phenylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-phenylphenyl)sulfonylpiperazine is O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCNCC1.
What is the InChIKey of 1-(4-phenylphenyl)sulfonylpiperazine?
The InChIKey is DQAOIKYZBKRVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-21(20,18-12-10-17-11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17H,10-13H2.
What are the key properties of 1-(4-phenylphenyl)sulfonylpiperazine?
1-(4-phenylphenyl)sulfonylpiperazine has a molecular weight of 302.40 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)sulfonylpiperazine is sourced from PubChem (CID 4738863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).