N-(2,6-dimethylphenyl)methanesulfonamide

C9H13NO2S — CID 686475

IUPACN-(2,6-dimethylphenyl)methanesulfonamide
SMILESCc1cccc(C)c1NS(C)(=O)=O
InChIInChI=1S/C9H13NO2S/c1-7-5-4-6-8(2)9(7)10-13(3,11)12/h4-6,10H,1-3H3
InChIKeyCLMPXVSJALKBTQ-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.67
Rot. Bonds2

About N-(2,6-dimethylphenyl)methanesulfonamide

N-(2,6-dimethylphenyl)methanesulfonamide (PubChem CID 686475) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)methanesulfonamide
PubChem CID686475
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC NameN-(2,6-dimethylphenyl)methanesulfonamide
SMILESCc1cccc(C)c1NS(C)(=O)=O
InChIInChI=1S/C9H13NO2S/c1-7-5-4-6-8(2)9(7)10-13(3,11)12/h4-6,10H,1-3H3
InChIKeyCLMPXVSJALKBTQ-UHFFFAOYSA-N
XLogP1.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)methanesulfonamide?
The IUPAC name of N-(2,6-dimethylphenyl)methanesulfonamide (CID 686475) is N-(2,6-dimethylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)methanesulfonamide?
The canonical SMILES for N-(2,6-dimethylphenyl)methanesulfonamide is Cc1cccc(C)c1NS(C)(=O)=O.
What is the InChIKey of N-(2,6-dimethylphenyl)methanesulfonamide?
The InChIKey is CLMPXVSJALKBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7-5-4-6-8(2)9(7)10-13(3,11)12/h4-6,10H,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)methanesulfonamide?
N-(2,6-dimethylphenyl)methanesulfonamide has a molecular weight of 199.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)methanesulfonamide is sourced from PubChem (CID 686475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).