2-methoxy-N-(4-methylphenyl)sulfonylbenzamide

C15H15NO4S — CID 2531951

IUPAC2-methoxy-N-(4-methylphenyl)sulfonylbenzamide
SMILESCOc1ccccc1C(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H15NO4S/c1-11-7-9-12(10-8-11)21(18,19)16-15(17)13-5-3-4-6-14(13)20-2/h3-10H,1-2H3,(H,16,17)
InChIKeyBCWLMIVSEHEFHQ-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.12
Rot. Bonds4

About 2-methoxy-N-(4-methylphenyl)sulfonylbenzamide

2-methoxy-N-(4-methylphenyl)sulfonylbenzamide (PubChem CID 2531951) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-methoxy-N-(4-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-(4-methylphenyl)sulfonylbenzamide
PubChem CID2531951
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-methoxy-N-(4-methylphenyl)sulfonylbenzamide
SMILESCOc1ccccc1C(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H15NO4S/c1-11-7-9-12(10-8-11)21(18,19)16-15(17)13-5-3-4-6-14(13)20-2/h3-10H,1-2H3,(H,16,17)
InChIKeyBCWLMIVSEHEFHQ-UHFFFAOYSA-N
XLogP2.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methylphenyl)sulfonylbenzamide?
The IUPAC name of 2-methoxy-N-(4-methylphenyl)sulfonylbenzamide (CID 2531951) is 2-methoxy-N-(4-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for 2-methoxy-N-(4-methylphenyl)sulfonylbenzamide?
The canonical SMILES for 2-methoxy-N-(4-methylphenyl)sulfonylbenzamide is COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-methoxy-N-(4-methylphenyl)sulfonylbenzamide?
The InChIKey is BCWLMIVSEHEFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-11-7-9-12(10-8-11)21(18,19)16-15(17)13-5-3-4-6-14(13)20-2/h3-10H,1-2H3,(H,16,17).
What are the key properties of 2-methoxy-N-(4-methylphenyl)sulfonylbenzamide?
2-methoxy-N-(4-methylphenyl)sulfonylbenzamide has a molecular weight of 305.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 2531951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).