4-methoxy-N-(2-naphthalen-1-ylethyl)-3-piperazin-1-ylbenzenesulfonamide

C23H27N3O3S — CID 118456745

IUPAC4-methoxy-N-(2-naphthalen-1-ylethyl)-3-piperazin-1-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cccc3ccccc23)cc1N1CCNCC1
InChIInChI=1S/C23H27N3O3S/c1-29-23-10-9-20(17-22(23)26-15-13-24-14-16-26)30(27,28)25-12-11-19-7-4-6-18-5-2-3-8-21(18)19/h2-10,17,24-25H,11-16H2,1H3
InChIKeyFQCTTWBJMMGTOC-UHFFFAOYSA-N
MW425.55 g/mol
LogP2.78
Rot. Bonds7

About 4-methoxy-N-(2-naphthalen-1-ylethyl)-3-piperazin-1-ylbenzenesulfonamide

4-methoxy-N-(2-naphthalen-1-ylethyl)-3-piperazin-1-ylbenzenesulfonamide (PubChem CID 118456745) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 4-methoxy-N-(2-naphthalen-1-ylethyl)-3-piperazin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-naphthalen-1-ylethyl)-3-piperazin-1-ylbenzenesulfonamide
PubChem CID118456745
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name4-methoxy-N-(2-naphthalen-1-ylethyl)-3-piperazin-1-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cccc3ccccc23)cc1N1CCNCC1
InChIInChI=1S/C23H27N3O3S/c1-29-23-10-9-20(17-22(23)26-15-13-24-14-16-26)30(27,28)25-12-11-19-7-4-6-18-5-2-3-8-21(18)19/h2-10,17,24-25H,11-16H2,1H3
InChIKeyFQCTTWBJMMGTOC-UHFFFAOYSA-N
XLogP2.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-naphthalen-1-ylethyl)-3-piperazin-1-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-naphthalen-1-ylethyl)-3-piperazin-1-ylbenzenesulfonamide (CID 118456745) is 4-methoxy-N-(2-naphthalen-1-ylethyl)-3-piperazin-1-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-naphthalen-1-ylethyl)-3-piperazin-1-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-naphthalen-1-ylethyl)-3-piperazin-1-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2cccc3ccccc23)cc1N1CCNCC1.
What is the InChIKey of 4-methoxy-N-(2-naphthalen-1-ylethyl)-3-piperazin-1-ylbenzenesulfonamide?
The InChIKey is FQCTTWBJMMGTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-29-23-10-9-20(17-22(23)26-15-13-24-14-16-26)30(27,28)25-12-11-19-7-4-6-18-5-2-3-8-21(18)19/h2-10,17,24-25H,11-16H2,1H3.
What are the key properties of 4-methoxy-N-(2-naphthalen-1-ylethyl)-3-piperazin-1-ylbenzenesulfonamide?
4-methoxy-N-(2-naphthalen-1-ylethyl)-3-piperazin-1-ylbenzenesulfonamide has a molecular weight of 425.55 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-naphthalen-1-ylethyl)-3-piperazin-1-ylbenzenesulfonamide is sourced from PubChem (CID 118456745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).