N-(2-methylnaphthalen-1-yl)methanesulfonamide

C12H13NO2S — CID 1482866

IUPACN-(2-methylnaphthalen-1-yl)methanesulfonamide
SMILESCc1ccc2ccccc2c1NS(C)(=O)=O
InChIInChI=1S/C12H13NO2S/c1-9-7-8-10-5-3-4-6-11(10)12(9)13-16(2,14)15/h3-8,13H,1-2H3
InChIKeyQXVXSZRHFDEENE-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.52
Rot. Bonds2

About N-(2-methylnaphthalen-1-yl)methanesulfonamide

N-(2-methylnaphthalen-1-yl)methanesulfonamide (PubChem CID 1482866) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(2-methylnaphthalen-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methylnaphthalen-1-yl)methanesulfonamide
PubChem CID1482866
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC NameN-(2-methylnaphthalen-1-yl)methanesulfonamide
SMILESCc1ccc2ccccc2c1NS(C)(=O)=O
InChIInChI=1S/C12H13NO2S/c1-9-7-8-10-5-3-4-6-11(10)12(9)13-16(2,14)15/h3-8,13H,1-2H3
InChIKeyQXVXSZRHFDEENE-UHFFFAOYSA-N
XLogP2.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylnaphthalen-1-yl)methanesulfonamide?
The IUPAC name of N-(2-methylnaphthalen-1-yl)methanesulfonamide (CID 1482866) is N-(2-methylnaphthalen-1-yl)methanesulfonamide.
What is the SMILES notation for N-(2-methylnaphthalen-1-yl)methanesulfonamide?
The canonical SMILES for N-(2-methylnaphthalen-1-yl)methanesulfonamide is Cc1ccc2ccccc2c1NS(C)(=O)=O.
What is the InChIKey of N-(2-methylnaphthalen-1-yl)methanesulfonamide?
The InChIKey is QXVXSZRHFDEENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-9-7-8-10-5-3-4-6-11(10)12(9)13-16(2,14)15/h3-8,13H,1-2H3.
What are the key properties of N-(2-methylnaphthalen-1-yl)methanesulfonamide?
N-(2-methylnaphthalen-1-yl)methanesulfonamide has a molecular weight of 235.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylnaphthalen-1-yl)methanesulfonamide is sourced from PubChem (CID 1482866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).