1-(benzenesulfonyl)-4-cycloheptylpiperazine

C17H26N2O2S — CID 717295

IUPAC1-(benzenesulfonyl)-4-cycloheptylpiperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C17H26N2O2S/c20-22(21,17-10-6-3-7-11-17)19-14-12-18(13-15-19)16-8-4-1-2-5-9-16/h3,6-7,10-11,16H,1-2,4-5,8-9,12-15H2
InChIKeyGXESYLYICZBJBJ-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.72
Rot. Bonds3

About 1-(benzenesulfonyl)-4-cycloheptylpiperazine

1-(benzenesulfonyl)-4-cycloheptylpiperazine (PubChem CID 717295) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-cycloheptylpiperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-cycloheptylpiperazine
PubChem CID717295
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name1-(benzenesulfonyl)-4-cycloheptylpiperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C17H26N2O2S/c20-22(21,17-10-6-3-7-11-17)19-14-12-18(13-15-19)16-8-4-1-2-5-9-16/h3,6-7,10-11,16H,1-2,4-5,8-9,12-15H2
InChIKeyGXESYLYICZBJBJ-UHFFFAOYSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-cycloheptylpiperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-cycloheptylpiperazine (CID 717295) is 1-(benzenesulfonyl)-4-cycloheptylpiperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-cycloheptylpiperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-cycloheptylpiperazine is O=S(=O)(c1ccccc1)N1CCN(C2CCCCCC2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-cycloheptylpiperazine?
The InChIKey is GXESYLYICZBJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c20-22(21,17-10-6-3-7-11-17)19-14-12-18(13-15-19)16-8-4-1-2-5-9-16/h3,6-7,10-11,16H,1-2,4-5,8-9,12-15H2.
What are the key properties of 1-(benzenesulfonyl)-4-cycloheptylpiperazine?
1-(benzenesulfonyl)-4-cycloheptylpiperazine has a molecular weight of 322.47 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-cycloheptylpiperazine is sourced from PubChem (CID 717295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).