1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine

C13H18ClFN2O2S — CID 113076966

IUPAC1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C13H18ClFN2O2S/c1-2-9-20(18,19)17-7-5-16(6-8-17)11-3-4-13(15)12(14)10-11/h3-4,10H,2,5-9H2,1H3
InChIKeyIIYMCRVUDLNYSI-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.34
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine

1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine (PubChem CID 113076966) has the molecular formula C13H18ClFN2O2S and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine
PubChem CID113076966
Molecular FormulaC13H18ClFN2O2S
Molecular Weight320.82 g/mol
Exact Mass320.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C13H18ClFN2O2S/c1-2-9-20(18,19)17-7-5-16(6-8-17)11-3-4-13(15)12(14)10-11/h3-4,10H,2,5-9H2,1H3
InChIKeyIIYMCRVUDLNYSI-UHFFFAOYSA-N
XLogP2.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butylsulfonyl-4-(3-chloro-4-methoxyphenyl)piperazine
CID 113077135
4-(4-propylsulfonylpiperazin-1-yl)phenol
CID 2422978
1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine
CID 113080453
1-(3-bromophenyl)-4-propylsulfonylpiperazine
CID 113079446
1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine
CID 113079918
1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine
CID 113079079
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 41349861
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(3-chloro-4-fluorophenyl)piperazine
CID 113076985
1-(5-chloro-2-fluorophenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 110819028
(5-chloro-2-fluorophenyl)-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110810249
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 41349860
1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 3756264

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine (CID 113076966) is 1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine?
The InChIKey is IIYMCRVUDLNYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S/c1-2-9-20(18,19)17-7-5-16(6-8-17)11-3-4-13(15)12(14)10-11/h3-4,10H,2,5-9H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine?
1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine has a molecular weight of 320.82 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine is sourced from PubChem (CID 113076966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).