1-(benzenesulfonyl)-4-(3-chlorophenyl)piperazine

C16H17ClN2O2S — CID 710994

IUPAC1-(benzenesulfonyl)-4-(3-chlorophenyl)piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H17ClN2O2S/c17-14-5-4-6-15(13-14)18-9-11-19(12-10-18)22(20,21)16-7-2-1-3-8-16/h1-8,13H,9-12H2
InChIKeyKJSHPOWMVFEPIZ-UHFFFAOYSA-N
MW336.84 g/mol
LogP2.85
Rot. Bonds3

About 1-(benzenesulfonyl)-4-(3-chlorophenyl)piperazine

1-(benzenesulfonyl)-4-(3-chlorophenyl)piperazine (PubChem CID 710994) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(3-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(3-chlorophenyl)piperazine
PubChem CID710994
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name1-(benzenesulfonyl)-4-(3-chlorophenyl)piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H17ClN2O2S/c17-14-5-4-6-15(13-14)18-9-11-19(12-10-18)22(20,21)16-7-2-1-3-8-16/h1-8,13H,9-12H2
InChIKeyKJSHPOWMVFEPIZ-UHFFFAOYSA-N
XLogP2.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(3-chlorophenyl)piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-(3-chlorophenyl)piperazine (CID 710994) is 1-(benzenesulfonyl)-4-(3-chlorophenyl)piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(3-chlorophenyl)piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(3-chlorophenyl)piperazine is O=S(=O)(c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(3-chlorophenyl)piperazine?
The InChIKey is KJSHPOWMVFEPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c17-14-5-4-6-15(13-14)18-9-11-19(12-10-18)22(20,21)16-7-2-1-3-8-16/h1-8,13H,9-12H2.
What are the key properties of 1-(benzenesulfonyl)-4-(3-chlorophenyl)piperazine?
1-(benzenesulfonyl)-4-(3-chlorophenyl)piperazine has a molecular weight of 336.84 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(3-chlorophenyl)piperazine is sourced from PubChem (CID 710994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).