N-(benzenesulfonyl)-2-(3-methylphenoxy)acetamide

C15H15NO4S — CID 765609

IUPACN-(benzenesulfonyl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H15NO4S/c1-12-6-5-7-13(10-12)20-11-15(17)16-21(18,19)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,16,17)
InChIKeySFZYHNAGMAZZMB-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.88
Rot. Bonds5

About N-(benzenesulfonyl)-2-(3-methylphenoxy)acetamide

N-(benzenesulfonyl)-2-(3-methylphenoxy)acetamide (PubChem CID 765609) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(3-methylphenoxy)acetamide
PubChem CID765609
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC NameN-(benzenesulfonyl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H15NO4S/c1-12-6-5-7-13(10-12)20-11-15(17)16-21(18,19)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,16,17)
InChIKeySFZYHNAGMAZZMB-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(benzenesulfonyl)-2-(3-methylphenoxy)acetamide (CID 765609) is N-(benzenesulfonyl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-(benzenesulfonyl)-2-(3-methylphenoxy)acetamide?
The InChIKey is SFZYHNAGMAZZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-12-6-5-7-13(10-12)20-11-15(17)16-21(18,19)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,16,17).
What are the key properties of N-(benzenesulfonyl)-2-(3-methylphenoxy)acetamide?
N-(benzenesulfonyl)-2-(3-methylphenoxy)acetamide has a molecular weight of 305.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 765609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).