N-(4-ethoxyphenyl)-2,4,5-trimethylbenzenesulfonamide

C17H21NO3S — CID 754043

IUPACN-(4-ethoxyphenyl)-2,4,5-trimethylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C17H21NO3S/c1-5-21-16-8-6-15(7-9-16)18-22(19,20)17-11-13(3)12(2)10-14(17)4/h6-11,18H,5H2,1-4H3
InChIKeyQOMPBGZWCOOVFK-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.81
Rot. Bonds5

About N-(4-ethoxyphenyl)-2,4,5-trimethylbenzenesulfonamide

N-(4-ethoxyphenyl)-2,4,5-trimethylbenzenesulfonamide (PubChem CID 754043) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2,4,5-trimethylbenzenesulfonamide
PubChem CID754043
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(4-ethoxyphenyl)-2,4,5-trimethylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C17H21NO3S/c1-5-21-16-8-6-15(7-9-16)18-22(19,20)17-11-13(3)12(2)10-14(17)4/h6-11,18H,5H2,1-4H3
InChIKeyQOMPBGZWCOOVFK-UHFFFAOYSA-N
XLogP3.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2,4,5-trimethylbenzenesulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-2,4,5-trimethylbenzenesulfonamide (CID 754043) is N-(4-ethoxyphenyl)-2,4,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2,4,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2,4,5-trimethylbenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2,4,5-trimethylbenzenesulfonamide?
The InChIKey is QOMPBGZWCOOVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-5-21-16-8-6-15(7-9-16)18-22(19,20)17-11-13(3)12(2)10-14(17)4/h6-11,18H,5H2,1-4H3.
What are the key properties of N-(4-ethoxyphenyl)-2,4,5-trimethylbenzenesulfonamide?
N-(4-ethoxyphenyl)-2,4,5-trimethylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 754043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).