N-(2-ethoxyphenyl)-3,4-dimethoxybenzenesulfonamide

C16H19NO5S — CID 768993

IUPACN-(2-ethoxyphenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H19NO5S/c1-4-22-14-8-6-5-7-13(14)17-23(18,19)12-9-10-15(20-2)16(11-12)21-3/h5-11,17H,4H2,1-3H3
InChIKeyHZIIOUPWNIWTOC-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.90
Rot. Bonds7

About N-(2-ethoxyphenyl)-3,4-dimethoxybenzenesulfonamide

N-(2-ethoxyphenyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 768993) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID768993
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC NameN-(2-ethoxyphenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H19NO5S/c1-4-22-14-8-6-5-7-13(14)17-23(18,19)12-9-10-15(20-2)16(11-12)21-3/h5-11,17H,4H2,1-3H3
InChIKeyHZIIOUPWNIWTOC-UHFFFAOYSA-N
XLogP2.90
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-3,4-dimethoxybenzenesulfonamide (CID 768993) is N-(2-ethoxyphenyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3,4-dimethoxybenzenesulfonamide is CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-(2-ethoxyphenyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is HZIIOUPWNIWTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-4-22-14-8-6-5-7-13(14)17-23(18,19)12-9-10-15(20-2)16(11-12)21-3/h5-11,17H,4H2,1-3H3.
What are the key properties of N-(2-ethoxyphenyl)-3,4-dimethoxybenzenesulfonamide?
N-(2-ethoxyphenyl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 768993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).