2-methyl-5-methylsulfonyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide

C14H15NO5S3 — CID 71941137

IUPAC2-methyl-5-methylsulfonyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cc(S(C)(=O)=O)ccc2C)s1
InChIInChI=1S/C14H15NO5S3/c1-9-4-6-11(22(3,17)18)8-12(9)14(16)15-23(19,20)13-7-5-10(2)21-13/h4-8H,1-3H3,(H,15,16)
InChIKeyROASHFZWYXTUMW-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.89
Rot. Bonds4

About 2-methyl-5-methylsulfonyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide

2-methyl-5-methylsulfonyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide (PubChem CID 71941137) has the molecular formula C14H15NO5S3 and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide
PubChem CID71941137
Molecular FormulaC14H15NO5S3
Molecular Weight373.48 g/mol
Exact Mass373.01
IUPAC Name2-methyl-5-methylsulfonyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cc(S(C)(=O)=O)ccc2C)s1
InChIInChI=1S/C14H15NO5S3/c1-9-4-6-11(22(3,17)18)8-12(9)14(16)15-23(19,20)13-7-5-10(2)21-13/h4-8H,1-3H3,(H,15,16)
InChIKeyROASHFZWYXTUMW-UHFFFAOYSA-N
XLogP1.89
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide (CID 71941137) is 2-methyl-5-methylsulfonyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide is Cc1ccc(S(=O)(=O)NC(=O)c2cc(S(C)(=O)=O)ccc2C)s1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide?
The InChIKey is ROASHFZWYXTUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S3/c1-9-4-6-11(22(3,17)18)8-12(9)14(16)15-23(19,20)13-7-5-10(2)21-13/h4-8H,1-3H3,(H,15,16).
What are the key properties of 2-methyl-5-methylsulfonyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide?
2-methyl-5-methylsulfonyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide has a molecular weight of 373.48 g/mol, XLogP of 1.89, 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-(5-methylthiophen-2-yl)sulfonylbenzamide is sourced from PubChem (CID 71941137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).