N-(5,6-dihydronaphthalen-1-ylsulfonyl)acetamide;ethane

C14H19NO3S — CID 144593271

IUPACN-(5,6-dihydronaphthalen-1-ylsulfonyl)acetamide;ethane
SMILESCC.CC(=O)NS(=O)(=O)c1cccc2c1C=CCC2
InChIInChI=1S/C12H13NO3S.C2H6/c1-9(14)13-17(15,16)12-8-4-6-10-5-2-3-7-11(10)12;1-2/h3-4,6-8H,2,5H2,1H3,(H,13,14);1-2H3
InChIKeyJJZSQQPAFZNYHR-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.50
Rot. Bonds2

About N-(5,6-dihydronaphthalen-1-ylsulfonyl)acetamide;ethane

N-(5,6-dihydronaphthalen-1-ylsulfonyl)acetamide;ethane (PubChem CID 144593271) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(5,6-dihydronaphthalen-1-ylsulfonyl)acetamide;ethane.

Molecular Properties

Compound NameN-(5,6-dihydronaphthalen-1-ylsulfonyl)acetamide;ethane
PubChem CID144593271
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-(5,6-dihydronaphthalen-1-ylsulfonyl)acetamide;ethane
SMILESCC.CC(=O)NS(=O)(=O)c1cccc2c1C=CCC2
InChIInChI=1S/C12H13NO3S.C2H6/c1-9(14)13-17(15,16)12-8-4-6-10-5-2-3-7-11(10)12;1-2/h3-4,6-8H,2,5H2,1H3,(H,13,14);1-2H3
InChIKeyJJZSQQPAFZNYHR-UHFFFAOYSA-N
XLogP2.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydronaphthalen-1-ylsulfonyl)acetamide;ethane?
The IUPAC name of N-(5,6-dihydronaphthalen-1-ylsulfonyl)acetamide;ethane (CID 144593271) is N-(5,6-dihydronaphthalen-1-ylsulfonyl)acetamide;ethane.
What is the SMILES notation for N-(5,6-dihydronaphthalen-1-ylsulfonyl)acetamide;ethane?
The canonical SMILES for N-(5,6-dihydronaphthalen-1-ylsulfonyl)acetamide;ethane is CC.CC(=O)NS(=O)(=O)c1cccc2c1C=CCC2.
What is the InChIKey of N-(5,6-dihydronaphthalen-1-ylsulfonyl)acetamide;ethane?
The InChIKey is JJZSQQPAFZNYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S.C2H6/c1-9(14)13-17(15,16)12-8-4-6-10-5-2-3-7-11(10)12;1-2/h3-4,6-8H,2,5H2,1H3,(H,13,14);1-2H3.
What are the key properties of N-(5,6-dihydronaphthalen-1-ylsulfonyl)acetamide;ethane?
N-(5,6-dihydronaphthalen-1-ylsulfonyl)acetamide;ethane has a molecular weight of 281.38 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydronaphthalen-1-ylsulfonyl)acetamide;ethane is sourced from PubChem (CID 144593271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).