N-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide

C13H14FN3O2S — CID 103298617

IUPACN-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide
SMILESCc1cc(N)cc(C)c1NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C13H14FN3O2S/c1-8-6-10(15)7-9(2)12(8)17-20(18,19)13-11(14)4-3-5-16-13/h3-7,17H,15H2,1-2H3
InChIKeyRACVFLONDGPZJN-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.22
Rot. Bonds3

About N-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide

N-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103298617) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide
PubChem CID103298617
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide
SMILESCc1cc(N)cc(C)c1NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C13H14FN3O2S/c1-8-6-10(15)7-9(2)12(8)17-20(18,19)13-11(14)4-3-5-16-13/h3-7,17H,15H2,1-2H3
InChIKeyRACVFLONDGPZJN-UHFFFAOYSA-N
XLogP2.22
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
BM-960102
CID 819349
4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002
6-chloro-N-(2,4-dimethylphenyl)pyridine-3-sulfonamide
CID 4729873
4-fluoro-N'-[(1Z)-1-(pyridin-4-yl)ethylidene]benzenesulfonohydrazide
CID 25237590
4-Fluoro-3-methyl-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 849940
3-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 2089017
2,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide;hydrochloride
CID 16244911
2,4,6-trimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 645120
3-Pyridinesulfonamide, 4-((3-(trifluoromethyl)phenyl)amino)-
CID 217032
N-(2-pyridin-4-ylethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2797873
2-methyl-N-(3-pyridinyl)benzenesulfonamide
CID 849224

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide (CID 103298617) is N-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide is Cc1cc(N)cc(C)c1NS(=O)(=O)c1ncccc1F.
What is the InChIKey of N-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is RACVFLONDGPZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-8-6-10(15)7-9(2)12(8)17-20(18,19)13-11(14)4-3-5-16-13/h3-7,17H,15H2,1-2H3.
What are the key properties of N-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide?
N-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 295.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103298617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).