1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine

C19H23FN2O2S — CID 55439469

IUPAC1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C19H23FN2O2S/c20-18-9-4-10-19(16-18)25(23,24)22-14-12-21(13-15-22)11-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16H,5,8,11-15H2
InChIKeyHJWILYRMEGUTCJ-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.76
Rot. Bonds6

About 1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine

1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine (PubChem CID 55439469) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine
PubChem CID55439469
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C19H23FN2O2S/c20-18-9-4-10-19(16-18)25(23,24)22-14-12-21(13-15-22)11-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16H,5,8,11-15H2
InChIKeyHJWILYRMEGUTCJ-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-benzylsulfonyl-4-[3-(3-fluorophenyl)propyl]piperazine
CID 110413546
3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
CID 100653397
1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 1072237
3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8966713
2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]isoindole-1,3-dione
CID 8966684
1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine
CID 110602324
1-[3-(3-fluorophenyl)propyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 110413541
1-benzylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine
CID 110413693
1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine;oxalic acid
CID 90483959
1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine
CID 6734618
1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 71954698
(1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248169

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine (CID 55439469) is 1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine is O=S(=O)(c1cccc(F)c1)N1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine?
The InChIKey is HJWILYRMEGUTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c20-18-9-4-10-19(16-18)25(23,24)22-14-12-21(13-15-22)11-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16H,5,8,11-15H2.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine?
1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)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-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine is sourced from PubChem (CID 55439469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).