1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone

C23H24N2O5S — CID 1072046

IUPAC1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C23H24N2O5S/c1-29-20-8-10-22(11-9-20)31(27,28)25-14-12-24(13-15-25)23(26)17-30-21-7-6-18-4-2-3-5-19(18)16-21/h2-11,16H,12-15,17H2,1H3
InChIKeyXQUIQAZHZFBKDW-UHFFFAOYSA-N
MW440.52 g/mol
LogP2.76
Rot. Bonds6

About 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone

1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone (PubChem CID 1072046) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
PubChem CID1072046
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C23H24N2O5S/c1-29-20-8-10-22(11-9-20)31(27,28)25-14-12-24(13-15-25)23(26)17-30-21-7-6-18-4-2-3-5-19(18)16-21/h2-11,16H,12-15,17H2,1H3
InChIKeyXQUIQAZHZFBKDW-UHFFFAOYSA-N
XLogP2.76
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 26216088
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 1072057
2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 1151528
2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 9495933
4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethoxy]benzoic acid
CID 45417208
1-(4-cyclohexa-1,5-dien-1-ylsulfonylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone
CID 91465779
2-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]benzaldehyde
CID 9009658
1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 60592066
2-(2-hydroxyphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 4807182
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-chloro-3-ethylphenoxy)ethanone
CID 7642694
cis-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 9230422
2-(4-chlorophenoxy)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 1074719

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone (CID 1072046) is 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone?
The InChIKey is XQUIQAZHZFBKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-29-20-8-10-22(11-9-20)31(27,28)25-14-12-24(13-15-25)23(26)17-30-21-7-6-18-4-2-3-5-19(18)16-21/h2-11,16H,12-15,17H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone?
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone has a molecular weight of 440.52 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 1072046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).