N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide

C11H13NO3S — CID 14985976

IUPACN-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C11H13NO3S/c1-16(14,15)12-9-6-5-8-3-2-4-11(13)10(8)7-9/h5-7,12H,2-4H2,1H3
InChIKeyGXMOCBMKXZUCIS-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.58
Rot. Bonds2

About N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide

N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide (PubChem CID 14985976) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide
PubChem CID14985976
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC NameN-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C11H13NO3S/c1-16(14,15)12-9-6-5-8-3-2-4-11(13)10(8)7-9/h5-7,12H,2-4H2,1H3
InChIKeyGXMOCBMKXZUCIS-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-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide?
The IUPAC name of N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide (CID 14985976) is N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide.
What is the SMILES notation for N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide?
The canonical SMILES for N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)C(=O)CCC2.
What is the InChIKey of N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide?
The InChIKey is GXMOCBMKXZUCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-16(14,15)12-9-6-5-8-3-2-4-11(13)10(8)7-9/h5-7,12H,2-4H2,1H3.
What are the key properties of N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide?
N-(8-oxo-6,7-dihydro-5H-naphthalen-2-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-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide is sourced from PubChem (CID 14985976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).