1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine

C19H23FN2O2S — CID 110602324

IUPAC1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(CCCc2ccccc2F)CC1
InChIInChI=1S/C19H23FN2O2S/c20-19-11-5-4-7-17(19)8-6-12-21-13-15-22(16-14-21)25(23,24)18-9-2-1-3-10-18/h1-5,7,9-11H,6,8,12-16H2
InChIKeyCTFKKLZMRMVKKD-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.76
Rot. Bonds6

About 1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine

1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine (PubChem CID 110602324) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine
PubChem CID110602324
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(CCCc2ccccc2F)CC1
InChIInChI=1S/C19H23FN2O2S/c20-19-11-5-4-7-17(19)8-6-12-21-13-15-22(16-14-21)25(23,24)18-9-2-1-3-10-18/h1-5,7,9-11H,6,8,12-16H2
InChIKeyCTFKKLZMRMVKKD-UHFFFAOYSA-N
XLogP2.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 110602325
1-[4-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 110412144
1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 55439469
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 4213467
1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 1072237
1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
CID 110601997
1-(4-chlorophenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazine;oxalic acid
CID 17366247
1-(benzenesulfonyl)-4-[2-(2,4-dichlorophenyl)ethyl]piperazine
CID 113075244
1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine
CID 110412116
1-[(2-fluorophenyl)methyl]-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113074094
1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 8749281
1-(2-fluorophenyl)sulfonyl-4-pentylpiperazine
CID 45369127

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine (CID 110602324) is 1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine is O=S(=O)(c1ccccc1)N1CCN(CCCc2ccccc2F)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine?
The InChIKey is CTFKKLZMRMVKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c20-19-11-5-4-7-17(19)8-6-12-21-13-15-22(16-14-21)25(23,24)18-9-2-1-3-10-18/h1-5,7,9-11H,6,8,12-16H2.
What are the key properties of 1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine?
1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine has a molecular weight of 362.47 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine is sourced from PubChem (CID 110602324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).