2-methyl-6-methylsulfonylbenzamide

C9H11NO3S — CID 153435750

IUPAC2-methyl-6-methylsulfonylbenzamide
SMILESCc1cccc(S(C)(=O)=O)c1C(N)=O
InChIInChI=1S/C9H11NO3S/c1-6-4-3-5-7(14(2,12)13)8(6)9(10)11/h3-5H,1-2H3,(H2,10,11)
InChIKeyQGSIWGCPJJFQQI-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.50
Rot. Bonds2

About 2-methyl-6-methylsulfonylbenzamide

2-methyl-6-methylsulfonylbenzamide (PubChem CID 153435750) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-methyl-6-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-6-methylsulfonylbenzamide
PubChem CID153435750
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name2-methyl-6-methylsulfonylbenzamide
SMILESCc1cccc(S(C)(=O)=O)c1C(N)=O
InChIInChI=1S/C9H11NO3S/c1-6-4-3-5-7(14(2,12)13)8(6)9(10)11/h3-5H,1-2H3,(H2,10,11)
InChIKeyQGSIWGCPJJFQQI-UHFFFAOYSA-N
XLogP0.50
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-methylsulfonylbenzamide?
The IUPAC name of 2-methyl-6-methylsulfonylbenzamide (CID 153435750) is 2-methyl-6-methylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-6-methylsulfonylbenzamide?
The canonical SMILES for 2-methyl-6-methylsulfonylbenzamide is Cc1cccc(S(C)(=O)=O)c1C(N)=O.
What is the InChIKey of 2-methyl-6-methylsulfonylbenzamide?
The InChIKey is QGSIWGCPJJFQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-6-4-3-5-7(14(2,12)13)8(6)9(10)11/h3-5H,1-2H3,(H2,10,11).
What are the key properties of 2-methyl-6-methylsulfonylbenzamide?
2-methyl-6-methylsulfonylbenzamide has a molecular weight of 213.26 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-methylsulfonylbenzamide is sourced from PubChem (CID 153435750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).