N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide

C15H16FNO3S — CID 51178792

IUPACN-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCc1ccccc1F
InChIInChI=1S/C15H16FNO3S/c1-20-14-8-4-5-9-15(14)21(18,19)17-11-10-12-6-2-3-7-13(12)16/h2-9,17H,10-11H2,1H3
InChIKeyXJCQIVZVLWTYHG-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.36
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide

N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 51178792) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
PubChem CID51178792
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCc1ccccc1F
InChIInChI=1S/C15H16FNO3S/c1-20-14-8-4-5-9-15(14)21(18,19)17-11-10-12-6-2-3-7-13(12)16/h2-9,17H,10-11H2,1H3
InChIKeyXJCQIVZVLWTYHG-UHFFFAOYSA-N
XLogP2.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044
2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300997
N-[2-(2,3-dimethoxyphenyl)ethyl]-2,6-difluorobenzenesulfonamide
CID 3449408
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
N-(3-aminopropyl)-2-methoxybenzenesulfonamide
CID 43605820
4-fluoro-3-[2-(2-methoxyphenyl)ethylsulfamoyl]benzoate
CID 9160272
N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 86984270
N-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide
CID 110601561
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110788206
N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 110787683
N-[2-(2-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26531239
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide (CID 51178792) is N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is XJCQIVZVLWTYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-20-14-8-4-5-9-15(14)21(18,19)17-11-10-12-6-2-3-7-13(12)16/h2-9,17H,10-11H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide?
N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 51178792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).