N-(1,2-dihydroacenaphthylen-5-yl)methanesulfonamide

C13H13NO2S — CID 720585

IUPACN-(1,2-dihydroacenaphthylen-5-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C13H13NO2S/c1-17(15,16)14-12-8-7-10-6-5-9-3-2-4-11(12)13(9)10/h2-4,7-8,14H,5-6H2,1H3
InChIKeyNPGRAIIBMVPZHD-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.31
Rot. Bonds2

About N-(1,2-dihydroacenaphthylen-5-yl)methanesulfonamide

N-(1,2-dihydroacenaphthylen-5-yl)methanesulfonamide (PubChem CID 720585) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)methanesulfonamide
PubChem CID720585
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C13H13NO2S/c1-17(15,16)14-12-8-7-10-6-5-9-3-2-4-11(12)13(9)10/h2-4,7-8,14H,5-6H2,1H3
InChIKeyNPGRAIIBMVPZHD-UHFFFAOYSA-N
XLogP2.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)methanesulfonamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)methanesulfonamide (CID 720585) is N-(1,2-dihydroacenaphthylen-5-yl)methanesulfonamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)methanesulfonamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)methanesulfonamide is CS(=O)(=O)Nc1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)methanesulfonamide?
The InChIKey is NPGRAIIBMVPZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-17(15,16)14-12-8-7-10-6-5-9-3-2-4-11(12)13(9)10/h2-4,7-8,14H,5-6H2,1H3.
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)methanesulfonamide?
N-(1,2-dihydroacenaphthylen-5-yl)methanesulfonamide has a molecular weight of 247.32 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)methanesulfonamide is sourced from PubChem (CID 720585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).