N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide

C23H26FN3O3S — CID 118465171

IUPACN-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cccc3ccc(F)cc23)cc1N1CCNCC1
InChIInChI=1S/C23H26FN3O3S/c1-30-23-8-7-20(16-22(23)27-13-11-25-12-14-27)31(28,29)26-10-9-18-4-2-3-17-5-6-19(24)15-21(17)18/h2-8,15-16,25-26H,9-14H2,1H3
InChIKeyFJOCNAUYKRQCHF-UHFFFAOYSA-N
MW443.54 g/mol
LogP2.92
Rot. Bonds7

About N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide

N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (PubChem CID 118465171) has the molecular formula C23H26FN3O3S and a molecular weight of 443.54 g/mol. Its IUPAC name is N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
PubChem CID118465171
Molecular FormulaC23H26FN3O3S
Molecular Weight443.54 g/mol
Exact Mass443.17
IUPAC NameN-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cccc3ccc(F)cc23)cc1N1CCNCC1
InChIInChI=1S/C23H26FN3O3S/c1-30-23-8-7-20(16-22(23)27-13-11-25-12-14-27)31(28,29)26-10-9-18-4-2-3-17-5-6-19(24)15-21(17)18/h2-8,15-16,25-26H,9-14H2,1H3
InChIKeyFJOCNAUYKRQCHF-UHFFFAOYSA-N
XLogP2.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide?
The IUPAC name of N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (CID 118465171) is N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide?
The canonical SMILES for N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2cccc3ccc(F)cc23)cc1N1CCNCC1.
What is the InChIKey of N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide?
The InChIKey is FJOCNAUYKRQCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3S/c1-30-23-8-7-20(16-22(23)27-13-11-25-12-14-27)31(28,29)26-10-9-18-4-2-3-17-5-6-19(24)15-21(17)18/h2-8,15-16,25-26H,9-14H2,1H3.
What are the key properties of N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide?
N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide has a molecular weight of 443.54 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide is sourced from PubChem (CID 118465171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).