N-(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)methanesulfonamide

C11H13NO3S — CID 18679763

IUPACN-(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc2c1CCCC2=O
InChIInChI=1S/C11H13NO3S/c1-16(14,15)12-10-6-2-5-9-8(10)4-3-7-11(9)13/h2,5-6,12H,3-4,7H2,1H3
InChIKeyMXAFEWCLNMUVHL-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.58
Rot. Bonds2

About N-(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)methanesulfonamide

N-(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)methanesulfonamide (PubChem CID 18679763) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)methanesulfonamide
PubChem CID18679763
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC NameN-(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc2c1CCCC2=O
InChIInChI=1S/C11H13NO3S/c1-16(14,15)12-10-6-2-5-9-8(10)4-3-7-11(9)13/h2,5-6,12H,3-4,7H2,1H3
InChIKeyMXAFEWCLNMUVHL-UHFFFAOYSA-N
XLogP1.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)methanesulfonamide?
The IUPAC name of N-(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)methanesulfonamide (CID 18679763) is N-(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)methanesulfonamide.
What is the SMILES notation for N-(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)methanesulfonamide?
The canonical SMILES for N-(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)methanesulfonamide is CS(=O)(=O)Nc1cccc2c1CCCC2=O.
What is the InChIKey of N-(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)methanesulfonamide?
The InChIKey is MXAFEWCLNMUVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-16(14,15)12-10-6-2-5-9-8(10)4-3-7-11(9)13/h2,5-6,12H,3-4,7H2,1H3.
What are the key properties of N-(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)methanesulfonamide?
N-(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)methanesulfonamide has a molecular weight of 239.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)methanesulfonamide is sourced from PubChem (CID 18679763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).