N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide

C16H18FNO4S — CID 113099217

IUPACN-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2ccccc2F)c(C)c1
InChIInChI=1S/C16H18FNO4S/c1-12-11-13(21-2)7-8-16(12)23(19,20)18-9-10-22-15-6-4-3-5-14(15)17/h3-8,11,18H,9-10H2,1-2H3
InChIKeyUWSPGVACTGXVKV-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.50
Rot. Bonds7

About N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide

N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 113099217) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID113099217
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2ccccc2F)c(C)c1
InChIInChI=1S/C16H18FNO4S/c1-12-11-13(21-2)7-8-16(12)23(19,20)18-9-10-22-15-6-4-3-5-14(15)17/h3-8,11,18H,9-10H2,1-2H3
InChIKeyUWSPGVACTGXVKV-UHFFFAOYSA-N
XLogP2.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113101002
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113103104
4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 35609122
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110788206
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113101989
2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
CID 110758295
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 113102997
N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110605307
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113102102
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110781066

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide (CID 113099217) is N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCCOc2ccccc2F)c(C)c1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is UWSPGVACTGXVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-12-11-13(21-2)7-8-16(12)23(19,20)18-9-10-22-15-6-4-3-5-14(15)17/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 113099217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).