1-(benzenesulfonyl)-4-[(4-chlorophenyl)methyl]piperazine

C17H19ClN2O2S — CID 986205

IUPAC1-(benzenesulfonyl)-4-[(4-chlorophenyl)methyl]piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H19ClN2O2S/c18-16-8-6-15(7-9-16)14-19-10-12-20(13-11-19)23(21,22)17-4-2-1-3-5-17/h1-9H,10-14H2
InChIKeyINEFDDUCCOCBTE-UHFFFAOYSA-N
MW350.87 g/mol
LogP2.85
Rot. Bonds4

About 1-(benzenesulfonyl)-4-[(4-chlorophenyl)methyl]piperazine

1-(benzenesulfonyl)-4-[(4-chlorophenyl)methyl]piperazine (PubChem CID 986205) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[(4-chlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[(4-chlorophenyl)methyl]piperazine
PubChem CID986205
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name1-(benzenesulfonyl)-4-[(4-chlorophenyl)methyl]piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H19ClN2O2S/c18-16-8-6-15(7-9-16)14-19-10-12-20(13-11-19)23(21,22)17-4-2-1-3-5-17/h1-9H,10-14H2
InChIKeyINEFDDUCCOCBTE-UHFFFAOYSA-N
XLogP2.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
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-[(4-chlorophenyl)methyl]piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-[(4-chlorophenyl)methyl]piperazine (CID 986205) is 1-(benzenesulfonyl)-4-[(4-chlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[(4-chlorophenyl)methyl]piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-[(4-chlorophenyl)methyl]piperazine is O=S(=O)(c1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[(4-chlorophenyl)methyl]piperazine?
The InChIKey is INEFDDUCCOCBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c18-16-8-6-15(7-9-16)14-19-10-12-20(13-11-19)23(21,22)17-4-2-1-3-5-17/h1-9H,10-14H2.
What are the key properties of 1-(benzenesulfonyl)-4-[(4-chlorophenyl)methyl]piperazine?
1-(benzenesulfonyl)-4-[(4-chlorophenyl)methyl]piperazine has a molecular weight of 350.87 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[(4-chlorophenyl)methyl]piperazine is sourced from PubChem (CID 986205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).