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

C18H23NO7S — CID 113101989

IUPACN-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2cccc(OC)c2OC)c(OC)c1
InChIInChI=1S/C18H23NO7S/c1-22-13-8-9-17(16(12-13)24-3)27(20,21)19-10-11-26-15-7-5-6-14(23-2)18(15)25-4/h5-9,12,19H,10-11H2,1-4H3
InChIKeyHEMZQHKGTIYIMV-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.08
Rot. Bonds10

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

N-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 113101989) has the molecular formula C18H23NO7S and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
PubChem CID113101989
Molecular FormulaC18H23NO7S
Molecular Weight397.45 g/mol
Exact Mass397.12
IUPAC NameN-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2cccc(OC)c2OC)c(OC)c1
InChIInChI=1S/C18H23NO7S/c1-22-13-8-9-17(16(12-13)24-3)27(20,21)19-10-11-26-15-7-5-6-14(23-2)18(15)25-4/h5-9,12,19H,10-11H2,1-4H3
InChIKeyHEMZQHKGTIYIMV-UHFFFAOYSA-N
XLogP2.08
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113102102
5-chloro-N-[2-(2,3-dimethoxyphenoxy)ethyl]thiophene-2-sulfonamide
CID 113101998
N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113099217
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid
CID 79469582
N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 62664941
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 35395703
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 8990569
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide (CID 113101989) is N-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCOc2cccc(OC)c2OC)c(OC)c1.
What is the InChIKey of N-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is HEMZQHKGTIYIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO7S/c1-22-13-8-9-17(16(12-13)24-3)27(20,21)19-10-11-26-15-7-5-6-14(23-2)18(15)25-4/h5-9,12,19H,10-11H2,1-4H3.
What are the key properties of N-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide?
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 397.45 g/mol, XLogP of 2.08, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 113101989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).