N-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide

C17H20FNO3S — CID 30365742

IUPACN-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCOc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H20FNO3S/c1-12-10-13(2)17(14(3)11-12)23(20,21)19-8-9-22-16-6-4-15(18)5-7-16/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyXPZOSDHXCRWBRK-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.11
Rot. Bonds6

About N-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide

N-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 30365742) has the molecular formula C17H20FNO3S and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID30365742
Molecular FormulaC17H20FNO3S
Molecular Weight337.42 g/mol
Exact Mass337.11
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCOc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H20FNO3S/c1-12-10-13(2)17(14(3)11-12)23(20,21)19-8-9-22-16-6-4-15(18)5-7-16/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyXPZOSDHXCRWBRK-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-difluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 113102398
N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 30867090
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
N-[2-(2,6-dimethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 113100789
N-[2-(3-ethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 113100044
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30867085
4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 35609122
N-[3-(4-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110288279
N-[2-(4-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 30365751
2-(4-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
CID 52810187
1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene
CID 35617109

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide (CID 30365742) is N-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCOc2ccc(F)cc2)c(C)c1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is XPZOSDHXCRWBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3S/c1-12-10-13(2)17(14(3)11-12)23(20,21)19-8-9-22-16-6-4-15(18)5-7-16/h4-7,10-11,19H,8-9H2,1-3H3.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide?
N-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 30365742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).