N-ethyl-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide

C18H16FNO2S — CID 2815541

IUPACN-ethyl-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide
SMILESCCN(c1cccc2ccccc12)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H16FNO2S/c1-2-20(23(21,22)16-12-10-15(19)11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,2H2,1H3
InChIKeyYXUHUYVUNMRELD-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.19
Rot. Bonds4

About N-ethyl-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide

N-ethyl-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide (PubChem CID 2815541) has the molecular formula C18H16FNO2S and a molecular weight of 329.40 g/mol. Its IUPAC name is N-ethyl-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide
PubChem CID2815541
Molecular FormulaC18H16FNO2S
Molecular Weight329.40 g/mol
Exact Mass329.09
IUPAC NameN-ethyl-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide
SMILESCCN(c1cccc2ccccc12)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H16FNO2S/c1-2-20(23(21,22)16-12-10-15(19)11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,2H2,1H3
InChIKeyYXUHUYVUNMRELD-UHFFFAOYSA-N
XLogP4.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide?
The IUPAC name of N-ethyl-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide (CID 2815541) is N-ethyl-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide?
The canonical SMILES for N-ethyl-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide is CCN(c1cccc2ccccc12)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide?
The InChIKey is YXUHUYVUNMRELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2S/c1-2-20(23(21,22)16-12-10-15(19)11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,2H2,1H3.
What are the key properties of N-ethyl-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide?
N-ethyl-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide has a molecular weight of 329.40 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide is sourced from PubChem (CID 2815541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).