4-fluoro-N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide

C22H24FN3O2S — CID 141414158

IUPAC4-fluoro-N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(N2CCNCC2)c2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C22H24FN3O2S/c23-18-6-8-19(9-7-18)29(27,28)25-12-11-17-5-10-22(26-15-13-24-14-16-26)21-4-2-1-3-20(17)21/h1-10,24-25H,11-16H2
InChIKeyQIMPWAAMMPZCBB-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.91
Rot. Bonds6

About 4-fluoro-N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide

4-fluoro-N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide (PubChem CID 141414158) has the molecular formula C22H24FN3O2S and a molecular weight of 413.52 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide
PubChem CID141414158
Molecular FormulaC22H24FN3O2S
Molecular Weight413.52 g/mol
Exact Mass413.16
IUPAC Name4-fluoro-N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(N2CCNCC2)c2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C22H24FN3O2S/c23-18-6-8-19(9-7-18)29(27,28)25-12-11-17-5-10-22(26-15-13-24-14-16-26)21-4-2-1-3-20(17)21/h1-10,24-25H,11-16H2
InChIKeyQIMPWAAMMPZCBB-UHFFFAOYSA-N
XLogP2.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide (CID 141414158) is 4-fluoro-N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccc(N2CCNCC2)c2ccccc12)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide?
The InChIKey is QIMPWAAMMPZCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2S/c23-18-6-8-19(9-7-18)29(27,28)25-12-11-17-5-10-22(26-15-13-24-14-16-26)21-4-2-1-3-20(17)21/h1-10,24-25H,11-16H2.
What are the key properties of 4-fluoro-N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide?
4-fluoro-N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide has a molecular weight of 413.52 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 141414158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).