N-(3-fluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)ethanesulfonamide

C12H14FNO3S — CID 11265721

IUPACN-(3-fluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(F)cc2c1CCCC2=O
InChIInChI=1S/C12H14FNO3S/c1-2-18(16,17)14-11-7-8(13)6-10-9(11)4-3-5-12(10)15/h6-7,14H,2-5H2,1H3
InChIKeyFGVCFQOSROZCIS-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.11
Rot. Bonds3

About N-(3-fluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)ethanesulfonamide

N-(3-fluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)ethanesulfonamide (PubChem CID 11265721) has the molecular formula C12H14FNO3S and a molecular weight of 271.31 g/mol. Its IUPAC name is N-(3-fluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)ethanesulfonamide
PubChem CID11265721
Molecular FormulaC12H14FNO3S
Molecular Weight271.31 g/mol
Exact Mass271.07
IUPAC NameN-(3-fluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(F)cc2c1CCCC2=O
InChIInChI=1S/C12H14FNO3S/c1-2-18(16,17)14-11-7-8(13)6-10-9(11)4-3-5-12(10)15/h6-7,14H,2-5H2,1H3
InChIKeyFGVCFQOSROZCIS-UHFFFAOYSA-N
XLogP2.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-fluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)ethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)ethanesulfonamide?
The IUPAC name of N-(3-fluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)ethanesulfonamide (CID 11265721) is N-(3-fluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)ethanesulfonamide.
What is the SMILES notation for N-(3-fluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)ethanesulfonamide?
The canonical SMILES for N-(3-fluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)ethanesulfonamide is CCS(=O)(=O)Nc1cc(F)cc2c1CCCC2=O.
What is the InChIKey of N-(3-fluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)ethanesulfonamide?
The InChIKey is FGVCFQOSROZCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3S/c1-2-18(16,17)14-11-7-8(13)6-10-9(11)4-3-5-12(10)15/h6-7,14H,2-5H2,1H3.
What are the key properties of N-(3-fluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)ethanesulfonamide?
N-(3-fluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)ethanesulfonamide has a molecular weight of 271.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)ethanesulfonamide is sourced from PubChem (CID 11265721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).