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

C16H19NO5S — CID 2921434

IUPACN-(4-ethoxyphenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C16H19NO5S/c1-4-22-13-7-5-12(6-8-13)17-23(18,19)16-11-14(20-2)9-10-15(16)21-3/h5-11,17H,4H2,1-3H3
InChIKeyOIYHQUKZPBANLR-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.90
Rot. Bonds7

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

N-(4-ethoxyphenyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 2921434) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID2921434
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC NameN-(4-ethoxyphenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C16H19NO5S/c1-4-22-13-7-5-12(6-8-13)17-23(18,19)16-11-14(20-2)9-10-15(16)21-3/h5-11,17H,4H2,1-3H3
InChIKeyOIYHQUKZPBANLR-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-(4-ethoxyphenyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-2,5-dimethoxybenzenesulfonamide (CID 2921434) is N-(4-ethoxyphenyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2,5-dimethoxybenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is OIYHQUKZPBANLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-4-22-13-7-5-12(6-8-13)17-23(18,19)16-11-14(20-2)9-10-15(16)21-3/h5-11,17H,4H2,1-3H3.
What are the key properties of N-(4-ethoxyphenyl)-2,5-dimethoxybenzenesulfonamide?
N-(4-ethoxyphenyl)-2,5-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-(4-ethoxyphenyl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 2921434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).