2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide

C12H12FN3O2S — CID 55044474

IUPAC2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1cccnc1N
InChIInChI=1S/C12H12FN3O2S/c1-8-7-9(13)4-5-10(8)16-19(17,18)11-3-2-6-15-12(11)14/h2-7,16H,1H3,(H2,14,15)
InChIKeyXDQIRQVYWJFASY-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.91
Rot. Bonds3

About 2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide

2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide (PubChem CID 55044474) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
PubChem CID55044474
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1cccnc1N
InChIInChI=1S/C12H12FN3O2S/c1-8-7-9(13)4-5-10(8)16-19(17,18)11-3-2-6-15-12(11)14/h2-7,16H,1H3,(H2,14,15)
InChIKeyXDQIRQVYWJFASY-UHFFFAOYSA-N
XLogP1.91
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-bromo-4-fluorophenyl)pyridine-3-sulfonamide
CID 62144064
2-amino-N-(2,5-difluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 103584410
2-amino-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 63672409
N-(4-fluoro-2-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103300908
2-amino-N-(3-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 62158167
2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28556510
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 16790210
N-(2-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 103816057
1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174032
4-amino-2-bromo-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 43256139

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide (CID 55044474) is 2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide is Cc1cc(F)ccc1NS(=O)(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide?
The InChIKey is XDQIRQVYWJFASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-8-7-9(13)4-5-10(8)16-19(17,18)11-3-2-6-15-12(11)14/h2-7,16H,1H3,(H2,14,15).
What are the key properties of 2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide?
2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide has a molecular weight of 281.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 55044474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).