2-(4-fluoroanilino)ethanesulfonamide

C8H11FN2O2S — CID 114384672

IUPAC2-(4-fluoroanilino)ethanesulfonamide
SMILESNS(=O)(=O)CCNc1ccc(F)cc1
InChIInChI=1S/C8H11FN2O2S/c9-7-1-3-8(4-2-7)11-5-6-14(10,12)13/h1-4,11H,5-6H2,(H2,10,12,13)
InChIKeyKDANKDRLIYRKHH-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.53
Rot. Bonds4

About 2-(4-fluoroanilino)ethanesulfonamide

2-(4-fluoroanilino)ethanesulfonamide (PubChem CID 114384672) has the molecular formula C8H11FN2O2S and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(4-fluoroanilino)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)ethanesulfonamide
PubChem CID114384672
Molecular FormulaC8H11FN2O2S
Molecular Weight218.25 g/mol
Exact Mass218.05
IUPAC Name2-(4-fluoroanilino)ethanesulfonamide
SMILESNS(=O)(=O)CCNc1ccc(F)cc1
InChIInChI=1S/C8H11FN2O2S/c9-7-1-3-8(4-2-7)11-5-6-14(10,12)13/h1-4,11H,5-6H2,(H2,10,12,13)
InChIKeyKDANKDRLIYRKHH-UHFFFAOYSA-N
XLogP0.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)ethanesulfonamide?
The IUPAC name of 2-(4-fluoroanilino)ethanesulfonamide (CID 114384672) is 2-(4-fluoroanilino)ethanesulfonamide.
What is the SMILES notation for 2-(4-fluoroanilino)ethanesulfonamide?
The canonical SMILES for 2-(4-fluoroanilino)ethanesulfonamide is NS(=O)(=O)CCNc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoroanilino)ethanesulfonamide?
The InChIKey is KDANKDRLIYRKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2S/c9-7-1-3-8(4-2-7)11-5-6-14(10,12)13/h1-4,11H,5-6H2,(H2,10,12,13).
What are the key properties of 2-(4-fluoroanilino)ethanesulfonamide?
2-(4-fluoroanilino)ethanesulfonamide has a molecular weight of 218.25 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)ethanesulfonamide is sourced from PubChem (CID 114384672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).