1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine

C17H19FN2O2S — CID 141044251

IUPAC1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C17H19FN2O2S/c1-19-10-12-20(13-11-19)15-4-8-17(9-5-15)23(21,22)16-6-2-14(18)3-7-16/h2-9H,10-13H2,1H3
InChIKeyIGSATPMBIMVPGA-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.41
Rot. Bonds3

About 1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine

1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine (PubChem CID 141044251) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine
PubChem CID141044251
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C17H19FN2O2S/c1-19-10-12-20(13-11-19)15-4-8-17(9-5-15)23(21,22)16-6-2-14(18)3-7-16/h2-9H,10-13H2,1H3
InChIKeyIGSATPMBIMVPGA-UHFFFAOYSA-N
XLogP2.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine 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

2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)aniline
CID 10269278
N-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)benzamide
CID 155988728
4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 16890263
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
N-ethyl-N-[2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18508984
1-(4-fluorophenyl)-N-[4-[4-[[(4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]phenyl]sulfonylphenyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]methanimine
CID 58753361
[1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 108973934
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 35141963
[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-(4-methylpiperazin-1-yl)methanone
CID 78773750
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one
CID 55818342
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine?
The IUPAC name of 1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine (CID 141044251) is 1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine is CN1CCN(c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine?
The InChIKey is IGSATPMBIMVPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-19-10-12-20(13-11-19)15-4-8-17(9-5-15)23(21,22)16-6-2-14(18)3-7-16/h2-9H,10-13H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine?
1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine has a molecular weight of 334.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine is sourced from PubChem (CID 141044251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).