1-(3-chlorophenyl)-4-propylsulfonylpiperazine

C13H19ClN2O2S — CID 888594

IUPAC1-(3-chlorophenyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2O2S/c1-2-10-19(17,18)16-8-6-15(7-9-16)13-5-3-4-12(14)11-13/h3-5,11H,2,6-10H2,1H3
InChIKeyIRCPVALNWCZXBT-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.20
Rot. Bonds4

About 1-(3-chlorophenyl)-4-propylsulfonylpiperazine

1-(3-chlorophenyl)-4-propylsulfonylpiperazine (PubChem CID 888594) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-propylsulfonylpiperazine
PubChem CID888594
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name1-(3-chlorophenyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2O2S/c1-2-10-19(17,18)16-8-6-15(7-9-16)13-5-3-4-12(14)11-13/h3-5,11H,2,6-10H2,1H3
InChIKeyIRCPVALNWCZXBT-UHFFFAOYSA-N
XLogP2.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-propylsulfonylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-propylsulfonylpiperazine (CID 888594) is 1-(3-chlorophenyl)-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-propylsulfonylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-propylsulfonylpiperazine?
The InChIKey is IRCPVALNWCZXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-2-10-19(17,18)16-8-6-15(7-9-16)13-5-3-4-12(14)11-13/h3-5,11H,2,6-10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-propylsulfonylpiperazine?
1-(3-chlorophenyl)-4-propylsulfonylpiperazine has a molecular weight of 302.83 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-propylsulfonylpiperazine is sourced from PubChem (CID 888594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).