1-naphthalen-2-ylsulfonylazepane

C16H19NO2S — CID 2791622

IUPAC1-naphthalen-2-ylsulfonylazepane
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCCCCC1
InChIInChI=1S/C16H19NO2S/c18-20(19,17-11-5-1-2-6-12-17)16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-10,13H,1-2,5-6,11-12H2
InChIKeyZVMSHVKNHHWLGQ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.40
Rot. Bonds2

About 1-naphthalen-2-ylsulfonylazepane

1-naphthalen-2-ylsulfonylazepane (PubChem CID 2791622) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonylazepane.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonylazepane
PubChem CID2791622
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name1-naphthalen-2-ylsulfonylazepane
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCCCCC1
InChIInChI=1S/C16H19NO2S/c18-20(19,17-11-5-1-2-6-12-17)16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-10,13H,1-2,5-6,11-12H2
InChIKeyZVMSHVKNHHWLGQ-UHFFFAOYSA-N
XLogP3.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonylazepane?
The IUPAC name of 1-naphthalen-2-ylsulfonylazepane (CID 2791622) is 1-naphthalen-2-ylsulfonylazepane.
What is the SMILES notation for 1-naphthalen-2-ylsulfonylazepane?
The canonical SMILES for 1-naphthalen-2-ylsulfonylazepane is O=S(=O)(c1ccc2ccccc2c1)N1CCCCCC1.
What is the InChIKey of 1-naphthalen-2-ylsulfonylazepane?
The InChIKey is ZVMSHVKNHHWLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c18-20(19,17-11-5-1-2-6-12-17)16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-10,13H,1-2,5-6,11-12H2.
What are the key properties of 1-naphthalen-2-ylsulfonylazepane?
1-naphthalen-2-ylsulfonylazepane has a molecular weight of 289.40 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonylazepane is sourced from PubChem (CID 2791622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).