N-(4-fluoro-2-methylphenyl)ethanesulfonamide

C9H12FNO2S — CID 22203194

IUPACN-(4-fluoro-2-methylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C9H12FNO2S/c1-3-14(12,13)11-9-5-4-8(10)6-7(9)2/h4-6,11H,3H2,1-2H3
InChIKeyXTBPEKBIPHTWDI-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.90
Rot. Bonds3

About N-(4-fluoro-2-methylphenyl)ethanesulfonamide

N-(4-fluoro-2-methylphenyl)ethanesulfonamide (PubChem CID 22203194) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)ethanesulfonamide
PubChem CID22203194
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC NameN-(4-fluoro-2-methylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C9H12FNO2S/c1-3-14(12,13)11-9-5-4-8(10)6-7(9)2/h4-6,11H,3H2,1-2H3
InChIKeyXTBPEKBIPHTWDI-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-(4-fluoro-2-methylphenyl)ethanesulfonamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)ethanesulfonamide (CID 22203194) is N-(4-fluoro-2-methylphenyl)ethanesulfonamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)ethanesulfonamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc(F)cc1C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)ethanesulfonamide?
The InChIKey is XTBPEKBIPHTWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-3-14(12,13)11-9-5-4-8(10)6-7(9)2/h4-6,11H,3H2,1-2H3.
What are the key properties of N-(4-fluoro-2-methylphenyl)ethanesulfonamide?
N-(4-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-(4-fluoro-2-methylphenyl)ethanesulfonamide is sourced from PubChem (CID 22203194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).