1-[3-(2-chlorophenyl)propyl]-4-propylsulfonylpiperazine

C16H25ClN2O2S — CID 110413794

IUPAC1-[3-(2-chlorophenyl)propyl]-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(CCCc2ccccc2Cl)CC1
InChIInChI=1S/C16H25ClN2O2S/c1-2-14-22(20,21)19-12-10-18(11-13-19)9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8H,2,5,7,9-14H2,1H3
InChIKeyCCOVSWCAHUYGOZ-UHFFFAOYSA-N
MW344.91 g/mol
LogP2.63
Rot. Bonds7

About 1-[3-(2-chlorophenyl)propyl]-4-propylsulfonylpiperazine

1-[3-(2-chlorophenyl)propyl]-4-propylsulfonylpiperazine (PubChem CID 110413794) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)propyl]-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)propyl]-4-propylsulfonylpiperazine
PubChem CID110413794
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC Name1-[3-(2-chlorophenyl)propyl]-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(CCCc2ccccc2Cl)CC1
InChIInChI=1S/C16H25ClN2O2S/c1-2-14-22(20,21)19-12-10-18(11-13-19)9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8H,2,5,7,9-14H2,1H3
InChIKeyCCOVSWCAHUYGOZ-UHFFFAOYSA-N
XLogP2.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-pentyl-4-(2-phenylethylsulfonyl)piperazine
CID 113075151
1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)butan-1-one
CID 110398563
1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine
CID 110356569
1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine
CID 113080453
1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine
CID 45369123
1-(benzenesulfonyl)-4-propylsulfonylpiperazine
CID 719624
1-octadecylsulfonyl-4-(2-phenylethyl)piperazine
CID 68994874
1-[(2-methylphenyl)methyl]-4-propylsulfonylpiperazine;oxalic acid
CID 90483955
1-pentyl-4-pentylsulfonylpiperazine
CID 86969430
N-(2,6-dichlorophenyl)-3-(4-pentylsulfonylpiperazin-1-yl)propanamide
CID 86936983
1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine
CID 110602324
1-[(2-bromophenyl)methyl]-4-propylsulfonylpiperazine;oxalic acid
CID 2901091

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)propyl]-4-propylsulfonylpiperazine?
The IUPAC name of 1-[3-(2-chlorophenyl)propyl]-4-propylsulfonylpiperazine (CID 110413794) is 1-[3-(2-chlorophenyl)propyl]-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-[3-(2-chlorophenyl)propyl]-4-propylsulfonylpiperazine?
The canonical SMILES for 1-[3-(2-chlorophenyl)propyl]-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(CCCc2ccccc2Cl)CC1.
What is the InChIKey of 1-[3-(2-chlorophenyl)propyl]-4-propylsulfonylpiperazine?
The InChIKey is CCOVSWCAHUYGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2S/c1-2-14-22(20,21)19-12-10-18(11-13-19)9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8H,2,5,7,9-14H2,1H3.
What are the key properties of 1-[3-(2-chlorophenyl)propyl]-4-propylsulfonylpiperazine?
1-[3-(2-chlorophenyl)propyl]-4-propylsulfonylpiperazine has a molecular weight of 344.91 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)propyl]-4-propylsulfonylpiperazine is sourced from PubChem (CID 110413794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).