4-fluoro-2-(methylaminomethyl)benzenesulfonamide

C8H11FN2O2S — CID 141404702

IUPAC4-fluoro-2-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(F)ccc1S(N)(=O)=O
InChIInChI=1S/C8H11FN2O2S/c1-11-5-6-4-7(9)2-3-8(6)14(10,12)13/h2-4,11H,5H2,1H3,(H2,10,12,13)
InChIKeyXWKCCBLKAFSTIM-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.19
Rot. Bonds3

About 4-fluoro-2-(methylaminomethyl)benzenesulfonamide

4-fluoro-2-(methylaminomethyl)benzenesulfonamide (PubChem CID 141404702) has the molecular formula C8H11FN2O2S and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-fluoro-2-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-(methylaminomethyl)benzenesulfonamide
PubChem CID141404702
Molecular FormulaC8H11FN2O2S
Molecular Weight218.25 g/mol
Exact Mass218.05
IUPAC Name4-fluoro-2-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(F)ccc1S(N)(=O)=O
InChIInChI=1S/C8H11FN2O2S/c1-11-5-6-4-7(9)2-3-8(6)14(10,12)13/h2-4,11H,5H2,1H3,(H2,10,12,13)
InChIKeyXWKCCBLKAFSTIM-UHFFFAOYSA-N
XLogP0.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-(methylaminomethyl)benzenesulfonamide (CID 141404702) is 4-fluoro-2-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-(methylaminomethyl)benzenesulfonamide is CNCc1cc(F)ccc1S(N)(=O)=O.
What is the InChIKey of 4-fluoro-2-(methylaminomethyl)benzenesulfonamide?
The InChIKey is XWKCCBLKAFSTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2S/c1-11-5-6-4-7(9)2-3-8(6)14(10,12)13/h2-4,11H,5H2,1H3,(H2,10,12,13).
What are the key properties of 4-fluoro-2-(methylaminomethyl)benzenesulfonamide?
4-fluoro-2-(methylaminomethyl)benzenesulfonamide has a molecular weight of 218.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 141404702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).