2,6-dimethyl-N-methylsulfonylbenzamide;ethane

C14H25NO3S — CID 170757170

IUPAC2,6-dimethyl-N-methylsulfonylbenzamide;ethane
SMILESCC.CC.Cc1cccc(C)c1C(=O)NS(C)(=O)=O
InChIInChI=1S/C10H13NO3S.2C2H6/c1-7-5-4-6-8(2)9(7)10(12)11-15(3,13)14;2*1-2/h4-6H,1-3H3,(H,11,12);2*1-2H3
InChIKeyGNQYEIJZVPFTST-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.05
Rot. Bonds2

About 2,6-dimethyl-N-methylsulfonylbenzamide;ethane

2,6-dimethyl-N-methylsulfonylbenzamide;ethane (PubChem CID 170757170) has the molecular formula C14H25NO3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2,6-dimethyl-N-methylsulfonylbenzamide;ethane.

Molecular Properties

Compound Name2,6-dimethyl-N-methylsulfonylbenzamide;ethane
PubChem CID170757170
Molecular FormulaC14H25NO3S
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name2,6-dimethyl-N-methylsulfonylbenzamide;ethane
SMILESCC.CC.Cc1cccc(C)c1C(=O)NS(C)(=O)=O
InChIInChI=1S/C10H13NO3S.2C2H6/c1-7-5-4-6-8(2)9(7)10(12)11-15(3,13)14;2*1-2/h4-6H,1-3H3,(H,11,12);2*1-2H3
InChIKeyGNQYEIJZVPFTST-UHFFFAOYSA-N
XLogP3.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-methylsulfonylbenzamide;ethane?
The IUPAC name of 2,6-dimethyl-N-methylsulfonylbenzamide;ethane (CID 170757170) is 2,6-dimethyl-N-methylsulfonylbenzamide;ethane.
What is the SMILES notation for 2,6-dimethyl-N-methylsulfonylbenzamide;ethane?
The canonical SMILES for 2,6-dimethyl-N-methylsulfonylbenzamide;ethane is CC.CC.Cc1cccc(C)c1C(=O)NS(C)(=O)=O.
What is the InChIKey of 2,6-dimethyl-N-methylsulfonylbenzamide;ethane?
The InChIKey is GNQYEIJZVPFTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S.2C2H6/c1-7-5-4-6-8(2)9(7)10(12)11-15(3,13)14;2*1-2/h4-6H,1-3H3,(H,11,12);2*1-2H3.
What are the key properties of 2,6-dimethyl-N-methylsulfonylbenzamide;ethane?
2,6-dimethyl-N-methylsulfonylbenzamide;ethane has a molecular weight of 287.43 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-methylsulfonylbenzamide;ethane is sourced from PubChem (CID 170757170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).