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

C22H25N3O2S — CID 141414179

IUPACN-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(N2CCNCC2)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H25N3O2S/c26-28(27,19-6-2-1-3-7-19)24-13-12-18-10-11-22(25-16-14-23-15-17-25)21-9-5-4-8-20(18)21/h1-11,23-24H,12-17H2
InChIKeyRSIYRCYMGGXISA-UHFFFAOYSA-N
MW395.53 g/mol
LogP2.77
Rot. Bonds6

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

N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide (PubChem CID 141414179) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide
PubChem CID141414179
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(N2CCNCC2)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H25N3O2S/c26-28(27,19-6-2-1-3-7-19)24-13-12-18-10-11-22(25-16-14-23-15-17-25)21-9-5-4-8-20(18)21/h1-11,23-24H,12-17H2
InChIKeyRSIYRCYMGGXISA-UHFFFAOYSA-N
XLogP2.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide (CID 141414179) is N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccc(N2CCNCC2)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide?
The InChIKey is RSIYRCYMGGXISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c26-28(27,19-6-2-1-3-7-19)24-13-12-18-10-11-22(25-16-14-23-15-17-25)21-9-5-4-8-20(18)21/h1-11,23-24H,12-17H2.
What are the key properties of N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide?
N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide has a molecular weight of 395.53 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-piperazin-1-ylnaphthalen-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 141414179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).