N-(2,4-dimethylphenyl)sulfonyl-3-ethoxybenzamide

C17H19NO4S — CID 60527818

IUPACN-(2,4-dimethylphenyl)sulfonyl-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)NS(=O)(=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C17H19NO4S/c1-4-22-15-7-5-6-14(11-15)17(19)18-23(20,21)16-9-8-12(2)10-13(16)3/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyMMFNFGMBHIMYKJ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.82
Rot. Bonds5

About N-(2,4-dimethylphenyl)sulfonyl-3-ethoxybenzamide

N-(2,4-dimethylphenyl)sulfonyl-3-ethoxybenzamide (PubChem CID 60527818) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)sulfonyl-3-ethoxybenzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)sulfonyl-3-ethoxybenzamide
PubChem CID60527818
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-(2,4-dimethylphenyl)sulfonyl-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)NS(=O)(=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C17H19NO4S/c1-4-22-15-7-5-6-14(11-15)17(19)18-23(20,21)16-9-8-12(2)10-13(16)3/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyMMFNFGMBHIMYKJ-UHFFFAOYSA-N
XLogP2.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)sulfonyl-3-ethoxybenzamide?
The IUPAC name of N-(2,4-dimethylphenyl)sulfonyl-3-ethoxybenzamide (CID 60527818) is N-(2,4-dimethylphenyl)sulfonyl-3-ethoxybenzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)sulfonyl-3-ethoxybenzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)sulfonyl-3-ethoxybenzamide is CCOc1cccc(C(=O)NS(=O)(=O)c2ccc(C)cc2C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)sulfonyl-3-ethoxybenzamide?
The InChIKey is MMFNFGMBHIMYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-4-22-15-7-5-6-14(11-15)17(19)18-23(20,21)16-9-8-12(2)10-13(16)3/h5-11H,4H2,1-3H3,(H,18,19).
What are the key properties of N-(2,4-dimethylphenyl)sulfonyl-3-ethoxybenzamide?
N-(2,4-dimethylphenyl)sulfonyl-3-ethoxybenzamide has a molecular weight of 333.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)sulfonyl-3-ethoxybenzamide is sourced from PubChem (CID 60527818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).