1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine

C20H24FN3O2S — CID 648905

IUPAC1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
SMILESO=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N1CCCC1
InChIInChI=1S/C20H24FN3O2S/c21-17-3-5-18(6-4-17)22-13-15-23(16-14-22)19-7-9-20(10-8-19)27(25,26)24-11-1-2-12-24/h3-10H,1-2,11-16H2
InChIKeyGZAFAWBEGAOVLK-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.94
Rot. Bonds4

About 1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine

1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine (PubChem CID 648905) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
PubChem CID648905
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC Name1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
SMILESO=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N1CCCC1
InChIInChI=1S/C20H24FN3O2S/c21-17-3-5-18(6-4-17)22-13-15-23(16-14-22)19-7-9-20(10-8-19)27(25,26)24-11-1-2-12-24/h3-10H,1-2,11-16H2
InChIKeyGZAFAWBEGAOVLK-UHFFFAOYSA-N
XLogP2.94
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 1068502
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanone
CID 45374724
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
1-(4-fluorophenyl)sulfonyl-4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazine
CID 2950180
1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine
CID 4061277
1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine
CID 141044251
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 134034160
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine
CID 1333953
1-(4-fluorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 133166796
5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 35141963

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine (CID 648905) is 1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine is O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N1CCCC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine?
The InChIKey is GZAFAWBEGAOVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c21-17-3-5-18(6-4-17)22-13-15-23(16-14-22)19-7-9-20(10-8-19)27(25,26)24-11-1-2-12-24/h3-10H,1-2,11-16H2.
What are the key properties of 1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine?
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine has a molecular weight of 389.50 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine is sourced from PubChem (CID 648905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).