1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine

C19H22F2N2O2S — CID 110602325

IUPAC1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(CCCc2ccccc2F)CC1
InChIInChI=1S/C19H22F2N2O2S/c20-17-7-9-18(10-8-17)26(24,25)23-14-12-22(13-15-23)11-3-5-16-4-1-2-6-19(16)21/h1-2,4,6-10H,3,5,11-15H2
InChIKeySVOCHSBPMGVBAG-UHFFFAOYSA-N
MW380.46 g/mol
LogP2.90
Rot. Bonds6

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

1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine (PubChem CID 110602325) has the molecular formula C19H22F2N2O2S and a molecular weight of 380.46 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine
PubChem CID110602325
Molecular FormulaC19H22F2N2O2S
Molecular Weight380.46 g/mol
Exact Mass380.14
IUPAC Name1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(CCCc2ccccc2F)CC1
InChIInChI=1S/C19H22F2N2O2S/c20-17-7-9-18(10-8-17)26(24,25)23-14-12-22(13-15-23)11-3-5-16-4-1-2-6-19(16)21/h1-2,4,6-10H,3,5,11-15H2
InChIKeySVOCHSBPMGVBAG-UHFFFAOYSA-N
XLogP2.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine
CID 110602324
1-[4-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 110412144
(4-fluorophenyl)-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]methanone
CID 110413339
1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 113074605
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
1-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid
CID 126477381
1-(3,4-difluorophenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazine
CID 27634956
1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 1072237
1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 110290651
1-(4-chlorophenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazine;oxalic acid
CID 17366247
1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
CID 110601997
1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 55439469

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine (CID 110602325) is 1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(F)cc1)N1CCN(CCCc2ccccc2F)CC1.
What is the InChIKey of 1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine?
The InChIKey is SVOCHSBPMGVBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2S/c20-17-7-9-18(10-8-17)26(24,25)23-14-12-22(13-15-23)11-3-5-16-4-1-2-6-19(16)21/h1-2,4,6-10H,3,5,11-15H2.
What are the key properties of 1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine?
1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine has a molecular weight of 380.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 110602325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).