(2,6-dimethylphenyl)methanesulfonamide

C9H13NO2S — CID 23161120

IUPAC(2,6-dimethylphenyl)methanesulfonamide
SMILESCc1cccc(C)c1CS(N)(=O)=O
InChIInChI=1S/C9H13NO2S/c1-7-4-3-5-8(2)9(7)6-13(10,11)12/h3-5H,6H2,1-2H3,(H2,10,11,12)
InChIKeyFFEPNCXRMKSCOJ-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.09
Rot. Bonds2

About (2,6-dimethylphenyl)methanesulfonamide

(2,6-dimethylphenyl)methanesulfonamide (PubChem CID 23161120) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is (2,6-dimethylphenyl)methanesulfonamide.

Molecular Properties

Compound Name(2,6-dimethylphenyl)methanesulfonamide
PubChem CID23161120
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name(2,6-dimethylphenyl)methanesulfonamide
SMILESCc1cccc(C)c1CS(N)(=O)=O
InChIInChI=1S/C9H13NO2S/c1-7-4-3-5-8(2)9(7)6-13(10,11)12/h3-5H,6H2,1-2H3,(H2,10,11,12)
InChIKeyFFEPNCXRMKSCOJ-UHFFFAOYSA-N
XLogP1.09
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,6-dimethylphenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)methanesulfonamide?
The IUPAC name of (2,6-dimethylphenyl)methanesulfonamide (CID 23161120) is (2,6-dimethylphenyl)methanesulfonamide.
What is the SMILES notation for (2,6-dimethylphenyl)methanesulfonamide?
The canonical SMILES for (2,6-dimethylphenyl)methanesulfonamide is Cc1cccc(C)c1CS(N)(=O)=O.
What is the InChIKey of (2,6-dimethylphenyl)methanesulfonamide?
The InChIKey is FFEPNCXRMKSCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7-4-3-5-8(2)9(7)6-13(10,11)12/h3-5H,6H2,1-2H3,(H2,10,11,12).
What are the key properties of (2,6-dimethylphenyl)methanesulfonamide?
(2,6-dimethylphenyl)methanesulfonamide has a molecular weight of 199.28 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)methanesulfonamide is sourced from PubChem (CID 23161120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).