1-morpholin-4-yl-2-naphthalen-2-ylsulfonylethanone

C16H17NO4S — CID 6483848

IUPAC1-morpholin-4-yl-2-naphthalen-2-ylsulfonylethanone
SMILESO=C(CS(=O)(=O)c1ccc2ccccc2c1)N1CCOCC1
InChIInChI=1S/C16H17NO4S/c18-16(17-7-9-21-10-8-17)12-22(19,20)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11H,7-10,12H2
InChIKeyZZLCCZQMKGMQQW-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.47
Rot. Bonds3

About 1-morpholin-4-yl-2-naphthalen-2-ylsulfonylethanone

1-morpholin-4-yl-2-naphthalen-2-ylsulfonylethanone (PubChem CID 6483848) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-naphthalen-2-ylsulfonylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-naphthalen-2-ylsulfonylethanone
PubChem CID6483848
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name1-morpholin-4-yl-2-naphthalen-2-ylsulfonylethanone
SMILESO=C(CS(=O)(=O)c1ccc2ccccc2c1)N1CCOCC1
InChIInChI=1S/C16H17NO4S/c18-16(17-7-9-21-10-8-17)12-22(19,20)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11H,7-10,12H2
InChIKeyZZLCCZQMKGMQQW-UHFFFAOYSA-N
XLogP1.47
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-naphthalen-2-ylsulfonylethanone?
The IUPAC name of 1-morpholin-4-yl-2-naphthalen-2-ylsulfonylethanone (CID 6483848) is 1-morpholin-4-yl-2-naphthalen-2-ylsulfonylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-naphthalen-2-ylsulfonylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-naphthalen-2-ylsulfonylethanone is O=C(CS(=O)(=O)c1ccc2ccccc2c1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-naphthalen-2-ylsulfonylethanone?
The InChIKey is ZZLCCZQMKGMQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c18-16(17-7-9-21-10-8-17)12-22(19,20)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11H,7-10,12H2.
What are the key properties of 1-morpholin-4-yl-2-naphthalen-2-ylsulfonylethanone?
1-morpholin-4-yl-2-naphthalen-2-ylsulfonylethanone has a molecular weight of 319.38 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-naphthalen-2-ylsulfonylethanone is sourced from PubChem (CID 6483848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).