N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide

C11H16FNO3S — CID 47372622

IUPACN-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)c1cc(F)ccc1OC
InChIInChI=1S/C11H16FNO3S/c1-4-17(14,15)13-8(2)10-7-9(12)5-6-11(10)16-3/h5-8,13H,4H2,1-3H3
InChIKeyTUXDSPLZMDBFRD-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.83
Rot. Bonds5

About N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide (PubChem CID 47372622) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide
PubChem CID47372622
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)c1cc(F)ccc1OC
InChIInChI=1S/C11H16FNO3S/c1-4-17(14,15)13-8(2)10-7-9(12)5-6-11(10)16-3/h5-8,13H,4H2,1-3H3
InChIKeyTUXDSPLZMDBFRD-UHFFFAOYSA-N
XLogP1.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene
CID 112686064
N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 28560659
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide
CID 47371507
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine
CID 43728729
1-bromo-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 99616093
1-bromo-N-[1-(2-methoxy-5-methylphenyl)ethyl]methanesulfonamide
CID 83084664
methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate
CID 115282443
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 43701037
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43728698
N-[(3,5-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103776734
N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 107445151

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide (CID 47372622) is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide is CCS(=O)(=O)NC(C)c1cc(F)ccc1OC.
What is the InChIKey of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide?
The InChIKey is TUXDSPLZMDBFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-4-17(14,15)13-8(2)10-7-9(12)5-6-11(10)16-3/h5-8,13H,4H2,1-3H3.
What are the key properties of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide?
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 47372622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).