N-(5-fluoro-2-methylphenyl)ethanesulfonamide

C9H12FNO2S — CID 6465056

IUPACN-(5-fluoro-2-methylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C9H12FNO2S/c1-3-14(12,13)11-9-6-8(10)5-4-7(9)2/h4-6,11H,3H2,1-2H3
InChIKeyNFLGSAGBLLGBKB-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.90
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)ethanesulfonamide

N-(5-fluoro-2-methylphenyl)ethanesulfonamide (PubChem CID 6465056) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)ethanesulfonamide
PubChem CID6465056
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC NameN-(5-fluoro-2-methylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C9H12FNO2S/c1-3-14(12,13)11-9-6-8(10)5-4-7(9)2/h4-6,11H,3H2,1-2H3
InChIKeyNFLGSAGBLLGBKB-UHFFFAOYSA-N
XLogP1.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)ethanesulfonamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)ethanesulfonamide (CID 6465056) is N-(5-fluoro-2-methylphenyl)ethanesulfonamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)ethanesulfonamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)ethanesulfonamide is CCS(=O)(=O)Nc1cc(F)ccc1C.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)ethanesulfonamide?
The InChIKey is NFLGSAGBLLGBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-3-14(12,13)11-9-6-8(10)5-4-7(9)2/h4-6,11H,3H2,1-2H3.
What are the key properties of N-(5-fluoro-2-methylphenyl)ethanesulfonamide?
N-(5-fluoro-2-methylphenyl)ethanesulfonamide has a molecular weight of 217.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)ethanesulfonamide is sourced from PubChem (CID 6465056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).