2-methyl-N,5-bis(methylsulfonyl)benzamide

C10H13NO5S2 — CID 47232887

IUPAC2-methyl-N,5-bis(methylsulfonyl)benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NS(C)(=O)=O
InChIInChI=1S/C10H13NO5S2/c1-7-4-5-8(17(2,13)14)6-9(7)10(12)11-18(3,15)16/h4-6H,1-3H3,(H,11,12)
InChIKeyGADNCNBQVKASKI-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.09
Rot. Bonds3

About 2-methyl-N,5-bis(methylsulfonyl)benzamide

2-methyl-N,5-bis(methylsulfonyl)benzamide (PubChem CID 47232887) has the molecular formula C10H13NO5S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-methyl-N,5-bis(methylsulfonyl)benzamide.

Molecular Properties

Compound Name2-methyl-N,5-bis(methylsulfonyl)benzamide
PubChem CID47232887
Molecular FormulaC10H13NO5S2
Molecular Weight291.35 g/mol
Exact Mass291.02
IUPAC Name2-methyl-N,5-bis(methylsulfonyl)benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NS(C)(=O)=O
InChIInChI=1S/C10H13NO5S2/c1-7-4-5-8(17(2,13)14)6-9(7)10(12)11-18(3,15)16/h4-6H,1-3H3,(H,11,12)
InChIKeyGADNCNBQVKASKI-UHFFFAOYSA-N
XLogP0.09
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,5-bis(methylsulfonyl)benzamide?
The IUPAC name of 2-methyl-N,5-bis(methylsulfonyl)benzamide (CID 47232887) is 2-methyl-N,5-bis(methylsulfonyl)benzamide.
What is the SMILES notation for 2-methyl-N,5-bis(methylsulfonyl)benzamide?
The canonical SMILES for 2-methyl-N,5-bis(methylsulfonyl)benzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)NS(C)(=O)=O.
What is the InChIKey of 2-methyl-N,5-bis(methylsulfonyl)benzamide?
The InChIKey is GADNCNBQVKASKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S2/c1-7-4-5-8(17(2,13)14)6-9(7)10(12)11-18(3,15)16/h4-6H,1-3H3,(H,11,12).
What are the key properties of 2-methyl-N,5-bis(methylsulfonyl)benzamide?
2-methyl-N,5-bis(methylsulfonyl)benzamide has a molecular weight of 291.35 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,5-bis(methylsulfonyl)benzamide is sourced from PubChem (CID 47232887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).