N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide

C17H20FNO3S — CID 112787894

IUPACN-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCc1ccc(C)c(OCCN(C)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H20FNO3S/c1-13-4-5-14(2)17(12-13)22-11-10-19(3)23(20,21)16-8-6-15(18)7-9-16/h4-9,12H,10-11H2,1-3H3
InChIKeyZPLZSJIEKBJUIH-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.14
Rot. Bonds6

About N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide

N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 112787894) has the molecular formula C17H20FNO3S and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide
PubChem CID112787894
Molecular FormulaC17H20FNO3S
Molecular Weight337.42 g/mol
Exact Mass337.11
IUPAC NameN-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCc1ccc(C)c(OCCN(C)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H20FNO3S/c1-13-4-5-14(2)17(12-13)22-11-10-19(3)23(20,21)16-8-6-15(18)7-9-16/h4-9,12H,10-11H2,1-3H3
InChIKeyZPLZSJIEKBJUIH-UHFFFAOYSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544444
4-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544726
4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
CID 60602045
3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 4802672
N-(2-chloroethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 63396604
1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene
CID 112727927
N-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260129
ethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate
CID 17465115
3-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544458
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
1-[2-(2,5-dimethylphenoxy)ethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 26963059
4-cyano-N-cyclopropyl-N-[3-(2,5-dimethylphenoxy)propyl]benzenesulfonamide
CID 60522568

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide (CID 112787894) is N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide is Cc1ccc(C)c(OCCN(C)S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is ZPLZSJIEKBJUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3S/c1-13-4-5-14(2)17(12-13)22-11-10-19(3)23(20,21)16-8-6-15(18)7-9-16/h4-9,12H,10-11H2,1-3H3.
What are the key properties of N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide?
N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 112787894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).