N-(4,8-dimethylnaphthalen-2-yl)methanesulfonamide

C13H15NO2S — CID 58960364

IUPACN-(4,8-dimethylnaphthalen-2-yl)methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)cc2c(C)cccc12
InChIInChI=1S/C13H15NO2S/c1-9-5-4-6-12-10(2)7-11(8-13(9)12)14-17(3,15)16/h4-8,14H,1-3H3
InChIKeyQSIAAKDLNLMABL-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.83
Rot. Bonds2

About N-(4,8-dimethylnaphthalen-2-yl)methanesulfonamide

N-(4,8-dimethylnaphthalen-2-yl)methanesulfonamide (PubChem CID 58960364) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(4,8-dimethylnaphthalen-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4,8-dimethylnaphthalen-2-yl)methanesulfonamide
PubChem CID58960364
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC NameN-(4,8-dimethylnaphthalen-2-yl)methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)cc2c(C)cccc12
InChIInChI=1S/C13H15NO2S/c1-9-5-4-6-12-10(2)7-11(8-13(9)12)14-17(3,15)16/h4-8,14H,1-3H3
InChIKeyQSIAAKDLNLMABL-UHFFFAOYSA-N
XLogP2.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,8-dimethylnaphthalen-2-yl)methanesulfonamide?
The IUPAC name of N-(4,8-dimethylnaphthalen-2-yl)methanesulfonamide (CID 58960364) is N-(4,8-dimethylnaphthalen-2-yl)methanesulfonamide.
What is the SMILES notation for N-(4,8-dimethylnaphthalen-2-yl)methanesulfonamide?
The canonical SMILES for N-(4,8-dimethylnaphthalen-2-yl)methanesulfonamide is Cc1cc(NS(C)(=O)=O)cc2c(C)cccc12.
What is the InChIKey of N-(4,8-dimethylnaphthalen-2-yl)methanesulfonamide?
The InChIKey is QSIAAKDLNLMABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-9-5-4-6-12-10(2)7-11(8-13(9)12)14-17(3,15)16/h4-8,14H,1-3H3.
What are the key properties of N-(4,8-dimethylnaphthalen-2-yl)methanesulfonamide?
N-(4,8-dimethylnaphthalen-2-yl)methanesulfonamide has a molecular weight of 249.34 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,8-dimethylnaphthalen-2-yl)methanesulfonamide is sourced from PubChem (CID 58960364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).