3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide

C17H21NO6S — CID 8990569

IUPAC3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCOc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C17H21NO6S/c1-21-15-11-14(12-16(22-2)17(15)23-3)25(19,20)18-9-10-24-13-7-5-4-6-8-13/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyLKWBGPUENGGMLI-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.07
Rot. Bonds9

About 3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide

3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide (PubChem CID 8990569) has the molecular formula C17H21NO6S and a molecular weight of 367.42 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
PubChem CID8990569
Molecular FormulaC17H21NO6S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC Name3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCOc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C17H21NO6S/c1-21-15-11-14(12-16(22-2)17(15)23-3)25(19,20)18-9-10-24-13-7-5-4-6-8-13/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyLKWBGPUENGGMLI-UHFFFAOYSA-N
XLogP2.07
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
methyl 3-(2-phenoxyethylsulfamoyl)benzoate
CID 35609145
N-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide
CID 30365872
N-[2-(4-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 30365751
N-[2-(3-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 113099287
N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 3858812
N-[2-(3-methoxyphenoxy)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 34111480
1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene
CID 141201011
N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide
CID 30366250
3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
CID 5018847
3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 17225990
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113101989

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide (CID 8990569) is 3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide is COc1cc(S(=O)(=O)NCCOc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide?
The InChIKey is LKWBGPUENGGMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO6S/c1-21-15-11-14(12-16(22-2)17(15)23-3)25(19,20)18-9-10-24-13-7-5-4-6-8-13/h4-8,11-12,18H,9-10H2,1-3H3.
What are the key properties of 3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide?
3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide has a molecular weight of 367.42 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide is sourced from PubChem (CID 8990569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).