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

C16H15FN2O3S — CID 26544727

IUPAC2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
SMILESCN(CCOc1ccc(F)cc1)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C16H15FN2O3S/c1-19(10-11-22-15-8-6-14(17)7-9-15)23(20,21)16-5-3-2-4-13(16)12-18/h2-9H,10-11H2,1H3
InChIKeyQVQJXGNHPGEBRA-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.40
Rot. Bonds6

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

2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide (PubChem CID 26544727) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
PubChem CID26544727
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
SMILESCN(CCOc1ccc(F)cc1)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C16H15FN2O3S/c1-19(10-11-22-15-8-6-14(17)7-9-15)23(20,21)16-5-3-2-4-13(16)12-18/h2-9H,10-11H2,1H3
InChIKeyQVQJXGNHPGEBRA-UHFFFAOYSA-N
XLogP2.40
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide
CID 61363430
4-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544726
2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60961531
1-bromo-N-[2-(4-fluorophenoxy)ethyl]-N-methylmethanesulfonamide
CID 83093376
N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide
CID 61383893
N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60912110
2,4-difluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
CID 78870952
4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
CID 60602045
2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide
CID 131929212
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 112788277
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-nitrobenzenesulfonamide
CID 26544797
2-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]sulfonylbenzonitrile
CID 110639107

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide (CID 26544727) is 2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide is CN(CCOc1ccc(F)cc1)S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide?
The InChIKey is QVQJXGNHPGEBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-19(10-11-22-15-8-6-14(17)7-9-15)23(20,21)16-5-3-2-4-13(16)12-18/h2-9H,10-11H2,1H3.
What are the key properties of 2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide?
2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide has a molecular weight of 334.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 26544727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).