1-ethyl-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine

C17H22N2O3S — CID 972083

IUPAC1-ethyl-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc(OC)c3ccccc23)CC1
InChIInChI=1S/C17H22N2O3S/c1-3-18-10-12-19(13-11-18)23(20,21)17-9-8-16(22-2)14-6-4-5-7-15(14)17/h4-9H,3,10-13H2,1-2H3
InChIKeyBDNMIVMPRSPUCT-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.17
Rot. Bonds4

About 1-ethyl-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine

1-ethyl-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine (PubChem CID 972083) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-ethyl-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-ethyl-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
PubChem CID972083
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name1-ethyl-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc(OC)c3ccccc23)CC1
InChIInChI=1S/C17H22N2O3S/c1-3-18-10-12-19(13-11-18)23(20,21)17-9-8-16(22-2)14-6-4-5-7-15(14)17/h4-9H,3,10-13H2,1-2H3
InChIKeyBDNMIVMPRSPUCT-UHFFFAOYSA-N
XLogP2.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine?
The IUPAC name of 1-ethyl-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine (CID 972083) is 1-ethyl-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine.
What is the SMILES notation for 1-ethyl-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine?
The canonical SMILES for 1-ethyl-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine is CCN1CCN(S(=O)(=O)c2ccc(OC)c3ccccc23)CC1.
What is the InChIKey of 1-ethyl-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine?
The InChIKey is BDNMIVMPRSPUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-3-18-10-12-19(13-11-18)23(20,21)17-9-8-16(22-2)14-6-4-5-7-15(14)17/h4-9H,3,10-13H2,1-2H3.
What are the key properties of 1-ethyl-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine?
1-ethyl-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine has a molecular weight of 334.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine is sourced from PubChem (CID 972083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).