2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide

C14H16FN3O2S — CID 106088068

IUPAC2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2cncc(C)c2)c(F)c1
InChIInChI=1S/C14H16FN3O2S/c1-10-5-12(9-17-7-10)18-21(19,20)14-4-3-11(8-16-2)6-13(14)15/h3-7,9,16,18H,8H2,1-2H3
InChIKeyRUDBBTIDHNMFGC-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.05
Rot. Bonds5

About 2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide

2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 106088068) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID106088068
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2cncc(C)c2)c(F)c1
InChIInChI=1S/C14H16FN3O2S/c1-10-5-12(9-17-7-10)18-21(19,20)14-4-3-11(8-16-2)6-13(14)15/h3-7,9,16,18H,8H2,1-2H3
InChIKeyRUDBBTIDHNMFGC-UHFFFAOYSA-N
XLogP2.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106087992
2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033482
N-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106020720
3-amino-2,4-difluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584491
2-fluoro-N-(3-iodophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106029453
2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)thiophene-3-sulfonamide
CID 106087977
2-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79190978
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106054763
2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106030969
5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584501
4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106088073
5-(aminomethyl)-2-ethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106088022

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide (CID 106088068) is 2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)Nc2cncc(C)c2)c(F)c1.
What is the InChIKey of 2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is RUDBBTIDHNMFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-10-5-12(9-17-7-10)18-21(19,20)14-4-3-11(8-16-2)6-13(14)15/h3-7,9,16,18H,8H2,1-2H3.
What are the key properties of 2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 309.37 g/mol, XLogP of 2.05, 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-(5-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 106088068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).