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

C13H14FN3O2S — CID 106033379

IUPAC4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2cccnc2)ccc1F
InChIInChI=1S/C13H14FN3O2S/c1-15-8-10-7-12(4-5-13(10)14)20(18,19)17-11-3-2-6-16-9-11/h2-7,9,15,17H,8H2,1H3
InChIKeyLFIANFCLBYUYAR-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.74
Rot. Bonds5

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

4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 106033379) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
PubChem CID106033379
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2cccnc2)ccc1F
InChIInChI=1S/C13H14FN3O2S/c1-15-8-10-7-12(4-5-13(10)14)20(18,19)17-11-3-2-6-16-9-11/h2-7,9,15,17H,8H2,1H3
InChIKeyLFIANFCLBYUYAR-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

4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033343
4-fluoro-N-(3-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106029424
3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 71991673
3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 29034135
4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084156
2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033482
5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033207
4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089510
1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine
CID 61026213
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
3,5-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 3269893
4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106088073

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide (CID 106033379) is 4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide is CNCc1cc(S(=O)(=O)Nc2cccnc2)ccc1F.
What is the InChIKey of 4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is LFIANFCLBYUYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-15-8-10-7-12(4-5-13(10)14)20(18,19)17-11-3-2-6-16-9-11/h2-7,9,15,17H,8H2,1H3.
What are the key properties of 4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide?
4-fluoro-3-(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 4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 106033379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).