2-(benzenesulfonyl)-N-(4-methoxyphenyl)acetamide

C15H15NO4S — CID 893006

IUPAC2-(benzenesulfonyl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO4S/c1-20-13-9-7-12(8-10-13)16-15(17)11-21(18,19)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,16,17)
InChIKeyUHFBUNPUYSAROE-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.11
Rot. Bonds5

About 2-(benzenesulfonyl)-N-(4-methoxyphenyl)acetamide

2-(benzenesulfonyl)-N-(4-methoxyphenyl)acetamide (PubChem CID 893006) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(4-methoxyphenyl)acetamide
PubChem CID893006
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-(benzenesulfonyl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO4S/c1-20-13-9-7-12(8-10-13)16-15(17)11-21(18,19)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,16,17)
InChIKeyUHFBUNPUYSAROE-UHFFFAOYSA-N
XLogP2.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(4-methoxyphenyl)acetamide (CID 893006) is 2-(benzenesulfonyl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is UHFBUNPUYSAROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-20-13-9-7-12(8-10-13)16-15(17)11-21(18,19)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,16,17).
What are the key properties of 2-(benzenesulfonyl)-N-(4-methoxyphenyl)acetamide?
2-(benzenesulfonyl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 305.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 893006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).