N-[(2-fluorophenyl)methyl]ethanesulfonamide

C9H12FNO2S — CID 6466934

IUPACN-[(2-fluorophenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccccc1F
InChIInChI=1S/C9H12FNO2S/c1-2-14(12,13)11-7-8-5-3-4-6-9(8)10/h3-6,11H,2,7H2,1H3
InChIKeyJVCPTXKUKUVIOR-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.26
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]ethanesulfonamide

N-[(2-fluorophenyl)methyl]ethanesulfonamide (PubChem CID 6466934) has the molecular formula C9H12FNO2S and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]ethanesulfonamide
PubChem CID6466934
Molecular FormulaC9H12FNO2S
Molecular Weight217.27 g/mol
Exact Mass217.06
IUPAC NameN-[(2-fluorophenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccccc1F
InChIInChI=1S/C9H12FNO2S/c1-2-14(12,13)11-7-8-5-3-4-6-9(8)10/h3-6,11H,2,7H2,1H3
InChIKeyJVCPTXKUKUVIOR-UHFFFAOYSA-N
XLogP1.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]ethanesulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]ethanesulfonamide (CID 6466934) is N-[(2-fluorophenyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]ethanesulfonamide?
The InChIKey is JVCPTXKUKUVIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-2-14(12,13)11-7-8-5-3-4-6-9(8)10/h3-6,11H,2,7H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]ethanesulfonamide?
N-[(2-fluorophenyl)methyl]ethanesulfonamide has a molecular weight of 217.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 6466934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).