N-(2-ethyl-5-fluorophenyl)methanesulfonamide

C9H12FNO2S — CID 118913293

IUPACN-(2-ethyl-5-fluorophenyl)methanesulfonamide
SMILESCCc1ccc(F)cc1NS(C)(=O)=O
InChIInChI=1S/C9H12FNO2S/c1-3-7-4-5-8(10)6-9(7)11-14(2,12)13/h4-6,11H,3H2,1-2H3
InChIKeyVPUZBZIYWLTYJK-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.76
Rot. Bonds3

About N-(2-ethyl-5-fluorophenyl)methanesulfonamide

N-(2-ethyl-5-fluorophenyl)methanesulfonamide (PubChem CID 118913293) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is N-(2-ethyl-5-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-5-fluorophenyl)methanesulfonamide
PubChem CID118913293
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC NameN-(2-ethyl-5-fluorophenyl)methanesulfonamide
SMILESCCc1ccc(F)cc1NS(C)(=O)=O
InChIInChI=1S/C9H12FNO2S/c1-3-7-4-5-8(10)6-9(7)11-14(2,12)13/h4-6,11H,3H2,1-2H3
InChIKeyVPUZBZIYWLTYJK-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(2-ethyl-5-fluorophenyl)methanesulfonamide (CID 118913293) is N-(2-ethyl-5-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-ethyl-5-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(2-ethyl-5-fluorophenyl)methanesulfonamide is CCc1ccc(F)cc1NS(C)(=O)=O.
What is the InChIKey of N-(2-ethyl-5-fluorophenyl)methanesulfonamide?
The InChIKey is VPUZBZIYWLTYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-3-7-4-5-8(10)6-9(7)11-14(2,12)13/h4-6,11H,3H2,1-2H3.
What are the key properties of N-(2-ethyl-5-fluorophenyl)methanesulfonamide?
N-(2-ethyl-5-fluorophenyl)methanesulfonamide has a molecular weight of 217.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 118913293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).