1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone

C17H20N2O4S — CID 50876377

IUPAC1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone
SMILESCOc1ccc2cc(S(=O)(=O)N3CCN(C(C)=O)CC3)ccc2c1
InChIInChI=1S/C17H20N2O4S/c1-13(20)18-7-9-19(10-8-18)24(21,22)17-6-4-14-11-16(23-2)5-3-15(14)12-17/h3-6,11-12H,7-10H2,1-2H3
InChIKeyQRQBZFVTXARKKO-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.70
Rot. Bonds3

About 1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone

1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 50876377) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone
PubChem CID50876377
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone
SMILESCOc1ccc2cc(S(=O)(=O)N3CCN(C(C)=O)CC3)ccc2c1
InChIInChI=1S/C17H20N2O4S/c1-13(20)18-7-9-19(10-8-18)24(21,22)17-6-4-14-11-16(23-2)5-3-15(14)12-17/h3-6,11-12H,7-10H2,1-2H3
InChIKeyQRQBZFVTXARKKO-UHFFFAOYSA-N
XLogP1.70
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 9496499
1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone
CID 4844704
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17191308
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1072046
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 26216088
1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9326800
(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119265572
N-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6470039
2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 9495933
1-[4-(3-methoxy-4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone
CID 165373031
iron;6-methoxynaphthalene-2-sulfonic acid
CID 87610362
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide
CID 19257253

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone (CID 50876377) is 1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone is COc1ccc2cc(S(=O)(=O)N3CCN(C(C)=O)CC3)ccc2c1.
What is the InChIKey of 1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is QRQBZFVTXARKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13(20)18-7-9-19(10-8-18)24(21,22)17-6-4-14-11-16(23-2)5-3-15(14)12-17/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone?
1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 348.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 50876377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).