N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide

C13H14FN3O2S — CID 106090021

IUPACN-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)Nc2ccncc2F)c1
InChIInChI=1S/C13H14FN3O2S/c1-15-8-10-3-2-4-11(7-10)20(18,19)17-13-5-6-16-9-12(13)14/h2-7,9,15H,8H2,1H3,(H,16,17)
InChIKeyJNORHXCTFYPITB-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.74
Rot. Bonds5

About N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide

N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106090021) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106090021
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)Nc2ccncc2F)c1
InChIInChI=1S/C13H14FN3O2S/c1-15-8-10-3-2-4-11(7-10)20(18,19)17-13-5-6-16-9-12(13)14/h2-7,9,15H,8H2,1H3,(H,16,17)
InChIKeyJNORHXCTFYPITB-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

3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063067
N-(2,3-difluorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106017374
3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103943790
3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 107595189
N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 122135835
N-(4-fluorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106061658
3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106083517
N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106061147
N-(4-chlorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106060719
N-(3-fluoro-4-pyridinyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106090077
N-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106029553
3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 106057745

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide (CID 106090021) is N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)Nc2ccncc2F)c1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is JNORHXCTFYPITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-15-8-10-3-2-4-11(7-10)20(18,19)17-13-5-6-16-9-12(13)14/h2-7,9,15H,8H2,1H3,(H,16,17).
What are the key properties of N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide?
N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide 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 N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106090021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).