N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide

C11H16FNO3S — CID 47371507

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C11H16FNO3S/c1-4-17(14,15)13-8(2)9-5-6-11(16-3)10(12)7-9/h5-8,13H,4H2,1-3H3
InChIKeyGEQRRLZJBLBIJP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.83
Rot. Bonds5

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide (PubChem CID 47371507) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide
PubChem CID47371507
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C11H16FNO3S/c1-4-17(14,15)13-8(2)9-5-6-11(16-3)10(12)7-9/h5-8,13H,4H2,1-3H3
InChIKeyGEQRRLZJBLBIJP-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

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide
CID 47013228
2-fluoro-1-methoxy-4-[1-[[methyl(propyl)sulfamoyl]amino]ethyl]benzene
CID 71847521
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 18097055
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 38255503
3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 26012217
2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 18097044
4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzene-1,4-disulfonamide
CID 46633618
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide
CID 47372622
N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]ethyl]methanesulfonamide
CID 43208198
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]azepane-1-sulfonamide
CID 18148519

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide (CID 47371507) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide is CCS(=O)(=O)NC(C)c1ccc(OC)c(F)c1.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide?
The InChIKey is GEQRRLZJBLBIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-4-17(14,15)13-8(2)9-5-6-11(16-3)10(12)7-9/h5-8,13H,4H2,1-3H3.
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide?
N-[1-(3-fluoro-4-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-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 47371507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).