8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline

C19H18FN3O2S — CID 113079783

IUPAC8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2cccc3cccnc23)CC1
InChIInChI=1S/C19H18FN3O2S/c20-16-6-8-17(9-7-16)26(24,25)23-13-11-22(12-14-23)18-5-1-3-15-4-2-10-21-19(15)18/h1-10H,11-14H2
InChIKeyKFUIQABRCGIPCF-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.88
Rot. Bonds3

About 8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline

8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline (PubChem CID 113079783) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline.

Molecular Properties

Compound Name8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline
PubChem CID113079783
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2cccc3cccnc23)CC1
InChIInChI=1S/C19H18FN3O2S/c20-16-6-8-17(9-7-16)26(24,25)23-13-11-22(12-14-23)18-5-1-3-15-4-2-10-21-19(15)18/h1-10H,11-14H2
InChIKeyKFUIQABRCGIPCF-UHFFFAOYSA-N
XLogP2.88
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 694818
1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine
CID 3756255
1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 68546883
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine
CID 53084458
2-fluoro-6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]benzonitrile
CID 9025126
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
1-(4-fluorophenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
CID 4585375
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline
CID 31007687
6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
CID 122047573
1,1-bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol
CID 10298197
4-chloro-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole
CID 16937776

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline?
The IUPAC name of 8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline (CID 113079783) is 8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline.
What is the SMILES notation for 8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline?
The canonical SMILES for 8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline is O=S(=O)(c1ccc(F)cc1)N1CCN(c2cccc3cccnc23)CC1.
What is the InChIKey of 8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline?
The InChIKey is KFUIQABRCGIPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c20-16-6-8-17(9-7-16)26(24,25)23-13-11-22(12-14-23)18-5-1-3-15-4-2-10-21-19(15)18/h1-10H,11-14H2.
What are the key properties of 8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline?
8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline has a molecular weight of 371.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline is sourced from PubChem (CID 113079783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).