1-(benzenesulfonyl)-4-propylsulfonylpiperazine

C13H20N2O4S2 — CID 719624

IUPAC1-(benzenesulfonyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C13H20N2O4S2/c1-2-12-20(16,17)14-8-10-15(11-9-14)21(18,19)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyZFHVKUSTQPFGAO-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.73
Rot. Bonds5

About 1-(benzenesulfonyl)-4-propylsulfonylpiperazine

1-(benzenesulfonyl)-4-propylsulfonylpiperazine (PubChem CID 719624) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-propylsulfonylpiperazine
PubChem CID719624
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name1-(benzenesulfonyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C13H20N2O4S2/c1-2-12-20(16,17)14-8-10-15(11-9-14)21(18,19)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyZFHVKUSTQPFGAO-UHFFFAOYSA-N
XLogP0.73
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine
CID 110819045
1-butylsulfonyl-4-(3-methylphenyl)sulfonylpiperazine
CID 110819058
1-(1-phenylethyl)-4-propylsulfonylpiperazine
CID 113074030
1-(3,4-dimethylphenyl)sulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799671
1-butylsulfonyl-4-(3-chlorophenyl)sulfonylpiperazine
CID 51170108
1,3-bis(benzenesulfonyl)imidazolidine
CID 1354022
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622
1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine
CID 113080453
1-(2-nitrophenyl)sulfonyl-4-propylsulfonylpiperazine;oxalic acid
CID 171154767
1,4-bis(propylsulfonyl)-1,4-diazepane
CID 52744132
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylaniline
CID 2052130
1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-butylsulfonylpiperazine
CID 27522527

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-propylsulfonylpiperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-propylsulfonylpiperazine (CID 719624) is 1-(benzenesulfonyl)-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-propylsulfonylpiperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-propylsulfonylpiperazine?
The InChIKey is ZFHVKUSTQPFGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-2-12-20(16,17)14-8-10-15(11-9-14)21(18,19)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-propylsulfonylpiperazine?
1-(benzenesulfonyl)-4-propylsulfonylpiperazine has a molecular weight of 332.45 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-propylsulfonylpiperazine is sourced from PubChem (CID 719624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).