7-methoxy-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one

C25H24N2O5S — CID 4263411

IUPAC7-methoxy-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one
SMILESCOc1ccc2c(CN3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)cc(=O)oc2c1
InChIInChI=1S/C25H24N2O5S/c1-31-21-7-9-23-20(15-25(28)32-24(23)16-21)17-26-10-12-27(13-11-26)33(29,30)22-8-6-18-4-2-3-5-19(18)14-22/h2-9,14-16H,10-13,17H2,1H3
InChIKeyLAZNWZAALYGKAP-UHFFFAOYSA-N
MW464.54 g/mol
LogP3.46
Rot. Bonds5

About 7-methoxy-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one

7-methoxy-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one (PubChem CID 4263411) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is 7-methoxy-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one
PubChem CID4263411
Molecular FormulaC25H24N2O5S
Molecular Weight464.54 g/mol
Exact Mass464.14
IUPAC Name7-methoxy-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one
SMILESCOc1ccc2c(CN3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)cc(=O)oc2c1
InChIInChI=1S/C25H24N2O5S/c1-31-21-7-9-23-20(15-25(28)32-24(23)16-21)17-26-10-12-27(13-11-26)33(29,30)22-8-6-18-4-2-3-5-19(18)14-22/h2-9,14-16H,10-13,17H2,1H3
InChIKeyLAZNWZAALYGKAP-UHFFFAOYSA-N
XLogP3.46
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 2461285
4-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-7-methoxychromen-2-one
CID 2690477
7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one
CID 3570603
4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-6,7-dimethylchromen-2-one
CID 3922922
7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one
CID 46563126
7-methoxy-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one
CID 2495784
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-7-methoxychromen-2-one
CID 11940249
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxychromen-2-one
CID 8760387
7-methoxy-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]chromen-2-one
CID 8590683
4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one
CID 2657102
4-[[4-(1-hydroxybutan-2-yl)piperazin-1-yl]methyl]-7-methoxychromen-2-one
CID 111497009
1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione
CID 7819577

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one?
The IUPAC name of 7-methoxy-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one (CID 4263411) is 7-methoxy-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one.
What is the SMILES notation for 7-methoxy-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one?
The canonical SMILES for 7-methoxy-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one is COc1ccc2c(CN3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)cc(=O)oc2c1.
What is the InChIKey of 7-methoxy-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one?
The InChIKey is LAZNWZAALYGKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5S/c1-31-21-7-9-23-20(15-25(28)32-24(23)16-21)17-26-10-12-27(13-11-26)33(29,30)22-8-6-18-4-2-3-5-19(18)14-22/h2-9,14-16H,10-13,17H2,1H3.
What are the key properties of 7-methoxy-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one?
7-methoxy-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one has a molecular weight of 464.54 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one is sourced from PubChem (CID 4263411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).