2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide

C13H14FN3O2S — CID 106033482

IUPAC2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2cccnc2)c(F)c1
InChIInChI=1S/C13H14FN3O2S/c1-15-8-10-4-5-13(12(14)7-10)20(18,19)17-11-3-2-6-16-9-11/h2-7,9,15,17H,8H2,1H3
InChIKeyOJCMIKXLNHPHFX-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.74
Rot. Bonds5

About 2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide

2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 106033482) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
PubChem CID106033482
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2cccnc2)c(F)c1
InChIInChI=1S/C13H14FN3O2S/c1-15-8-10-4-5-13(12(14)7-10)20(18,19)17-11-3-2-6-16-9-11/h2-7,9,15,17H,8H2,1H3
InChIKeyOJCMIKXLNHPHFX-UHFFFAOYSA-N
XLogP1.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106088068
2-fluoro-N-(3-iodophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106029453
4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033379
2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106030969
N-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924303
2-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79190978
N-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106020720
4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033343
5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033207
2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide
CID 106911076
5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 116529293
2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424004

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide (CID 106033482) is 2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide is CNCc1ccc(S(=O)(=O)Nc2cccnc2)c(F)c1.
What is the InChIKey of 2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is OJCMIKXLNHPHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-15-8-10-4-5-13(12(14)7-10)20(18,19)17-11-3-2-6-16-9-11/h2-7,9,15,17H,8H2,1H3.
What are the key properties of 2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide?
2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 106033482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).