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

C16H18FNO5S — CID 113099287

IUPACN-[2-(3-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2cccc(F)c2)cc1OC
InChIInChI=1S/C16H18FNO5S/c1-21-15-7-6-14(11-16(15)22-2)24(19,20)18-8-9-23-13-5-3-4-12(17)10-13/h3-7,10-11,18H,8-9H2,1-2H3
InChIKeyIFFWEFKWMXUTQM-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.20
Rot. Bonds8

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

N-[2-(3-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 113099287) has the molecular formula C16H18FNO5S and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID113099287
Molecular FormulaC16H18FNO5S
Molecular Weight355.39 g/mol
Exact Mass355.09
IUPAC NameN-[2-(3-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2cccc(F)c2)cc1OC
InChIInChI=1S/C16H18FNO5S/c1-21-15-7-6-14(11-16(15)22-2)24(19,20)18-8-9-23-13-5-3-4-12(17)10-13/h3-7,10-11,18H,8-9H2,1-2H3
InChIKeyIFFWEFKWMXUTQM-UHFFFAOYSA-N
XLogP2.20
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 30365751
3-fluoro-4-methoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30867180
N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099468
N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 35101237
N-[2-(3,5-dimethylphenoxy)ethyl]-3-fluorobenzenesulfonamide
CID 30365901
3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 8990569
3,4-dimethoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]benzenesulfonamide
CID 113101718
N-[2-(3-methoxyphenoxy)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 34111480
4-fluoro-3-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099147
N-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113099676
3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30366037
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide (CID 113099287) is N-[2-(3-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCOc2cccc(F)c2)cc1OC.
What is the InChIKey of N-[2-(3-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is IFFWEFKWMXUTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO5S/c1-21-15-7-6-14(11-16(15)22-2)24(19,20)18-8-9-23-13-5-3-4-12(17)10-13/h3-7,10-11,18H,8-9H2,1-2H3.
What are the key properties of N-[2-(3-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide?
N-[2-(3-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 355.39 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 113099287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).