2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline

C16H18FN3O2S — CID 129451972

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline
SMILESNc1ccccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H18FN3O2S/c17-13-5-7-14(8-6-13)19-9-11-20(12-10-19)23(21,22)16-4-2-1-3-15(16)18/h1-8H,9-12,18H2
InChIKeyRHEWAVPNQGCZIQ-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.92
Rot. Bonds3

About 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline

2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline (PubChem CID 129451972) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline
PubChem CID129451972
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline
SMILESNc1ccccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H18FN3O2S/c17-13-5-7-14(8-6-13)19-9-11-20(12-10-19)23(21,22)16-4-2-1-3-15(16)18/h1-8H,9-12,18H2
InChIKeyRHEWAVPNQGCZIQ-UHFFFAOYSA-N
XLogP1.92
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 2280565
2-thiomorpholin-4-ylsulfonylaniline
CID 28786580
1-(4-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine
CID 102691515
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylaniline
CID 61114608
1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1184061
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 3262769
1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine
CID 39911950
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 1085531
1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine
CID 2995650
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline (CID 129451972) is 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline is Nc1ccccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline?
The InChIKey is RHEWAVPNQGCZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c17-13-5-7-14(8-6-13)19-9-11-20(12-10-19)23(21,22)16-4-2-1-3-15(16)18/h1-8H,9-12,18H2.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline?
2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline has a molecular weight of 335.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline is sourced from PubChem (CID 129451972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).