N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide

C18H23NO6S — CID 1092329

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C18H23NO6S/c1-22-15-7-5-13(11-17(15)24-3)9-10-19-26(20,21)14-6-8-16(23-2)18(12-14)25-4/h5-8,11-12,19H,9-10H2,1-4H3
InChIKeyCASIIKXOPZVDDM-UHFFFAOYSA-N
MW381.45 g/mol
LogP2.24
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 1092329) has the molecular formula C18H23NO6S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID1092329
Molecular FormulaC18H23NO6S
Molecular Weight381.45 g/mol
Exact Mass381.12
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C18H23NO6S/c1-22-15-7-5-13(11-17(15)24-3)9-10-19-26(20,21)14-6-8-16(23-2)18(12-14)25-4/h5-8,11-12,19H,9-10H2,1-4H3
InChIKeyCASIIKXOPZVDDM-UHFFFAOYSA-N
XLogP2.24
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide (CID 1092329) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(CCNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is CASIIKXOPZVDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO6S/c1-22-15-7-5-13(11-17(15)24-3)9-10-19-26(20,21)14-6-8-16(23-2)18(12-14)25-4/h5-8,11-12,19H,9-10H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 381.45 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 1092329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).