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

C16H19NO4S — CID 768866

IUPACN-(4-ethylphenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C16H19NO4S/c1-4-12-5-7-13(8-6-12)17-22(18,19)16-11-14(20-2)9-10-15(16)21-3/h5-11,17H,4H2,1-3H3
InChIKeyITEAHPSQJUWGMG-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.07
Rot. Bonds6

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

N-(4-ethylphenyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 768866) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID768866
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-(4-ethylphenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C16H19NO4S/c1-4-12-5-7-13(8-6-12)17-22(18,19)16-11-14(20-2)9-10-15(16)21-3/h5-11,17H,4H2,1-3H3
InChIKeyITEAHPSQJUWGMG-UHFFFAOYSA-N
XLogP3.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(4-ethylphenyl)-2,5-dimethoxybenzenesulfonamide (CID 768866) is N-(4-ethylphenyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-2,5-dimethoxybenzenesulfonamide is CCc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is ITEAHPSQJUWGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-4-12-5-7-13(8-6-12)17-22(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-ethylphenyl)-2,5-dimethoxybenzenesulfonamide?
N-(4-ethylphenyl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 768866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).