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

C23H23ClN2O2S — CID 25123144

IUPAC1-(benzenesulfonyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H23ClN2O2S/c24-21-13-11-20(12-14-21)23(19-7-3-1-4-8-19)25-15-17-26(18-16-25)29(27,28)22-9-5-2-6-10-22/h1-14,23H,15-18H2
InChIKeySPJJNZAAMVPVFV-UHFFFAOYSA-N
MW426.97 g/mol
LogP4.44
Rot. Bonds5

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

1-(benzenesulfonyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine (PubChem CID 25123144) has the molecular formula C23H23ClN2O2S and a molecular weight of 426.97 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine
PubChem CID25123144
Molecular FormulaC23H23ClN2O2S
Molecular Weight426.97 g/mol
Exact Mass426.12
IUPAC Name1-(benzenesulfonyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H23ClN2O2S/c24-21-13-11-20(12-14-21)23(19-7-3-1-4-8-19)25-15-17-26(18-16-25)29(27,28)22-9-5-2-6-10-22/h1-14,23H,15-18H2
InChIKeySPJJNZAAMVPVFV-UHFFFAOYSA-N
XLogP4.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.97
LogP ≤ 54.44
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)-phenylmethyl]piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine (CID 25123144) is 1-(benzenesulfonyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine is O=S(=O)(c1ccccc1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine?
The InChIKey is SPJJNZAAMVPVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2S/c24-21-13-11-20(12-14-21)23(19-7-3-1-4-8-19)25-15-17-26(18-16-25)29(27,28)22-9-5-2-6-10-22/h1-14,23H,15-18H2.
What are the key properties of 1-(benzenesulfonyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine?
1-(benzenesulfonyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine has a molecular weight of 426.97 g/mol, XLogP of 4.44, 5 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)-phenylmethyl]piperazine is sourced from PubChem (CID 25123144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).