2-methyl-5-methylsulfonyl-N-thiophen-2-ylsulfonylbenzamide

C13H13NO5S3 — CID 71894529

IUPAC2-methyl-5-methylsulfonyl-N-thiophen-2-ylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H13NO5S3/c1-9-5-6-10(21(2,16)17)8-11(9)13(15)14-22(18,19)12-4-3-7-20-12/h3-8H,1-2H3,(H,14,15)
InChIKeyVJPCIRSEYLNUJI-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.58
Rot. Bonds4

About 2-methyl-5-methylsulfonyl-N-thiophen-2-ylsulfonylbenzamide

2-methyl-5-methylsulfonyl-N-thiophen-2-ylsulfonylbenzamide (PubChem CID 71894529) has the molecular formula C13H13NO5S3 and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-thiophen-2-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-thiophen-2-ylsulfonylbenzamide
PubChem CID71894529
Molecular FormulaC13H13NO5S3
Molecular Weight359.45 g/mol
Exact Mass359.00
IUPAC Name2-methyl-5-methylsulfonyl-N-thiophen-2-ylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H13NO5S3/c1-9-5-6-10(21(2,16)17)8-11(9)13(15)14-22(18,19)12-4-3-7-20-12/h3-8H,1-2H3,(H,14,15)
InChIKeyVJPCIRSEYLNUJI-UHFFFAOYSA-N
XLogP1.58
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-methylsulfonyl-N-thiophen-2-ylsulfonylbenzamide 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-methyl-5-methylsulfonyl-N-thiophen-2-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-thiophen-2-ylsulfonylbenzamide (CID 71894529) is 2-methyl-5-methylsulfonyl-N-thiophen-2-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-thiophen-2-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-thiophen-2-ylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)NS(=O)(=O)c1cccs1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-thiophen-2-ylsulfonylbenzamide?
The InChIKey is VJPCIRSEYLNUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5S3/c1-9-5-6-10(21(2,16)17)8-11(9)13(15)14-22(18,19)12-4-3-7-20-12/h3-8H,1-2H3,(H,14,15).
What are the key properties of 2-methyl-5-methylsulfonyl-N-thiophen-2-ylsulfonylbenzamide?
2-methyl-5-methylsulfonyl-N-thiophen-2-ylsulfonylbenzamide has a molecular weight of 359.45 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-thiophen-2-ylsulfonylbenzamide is sourced from PubChem (CID 71894529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).