2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide

C12H12FN3O2S — CID 28514319

IUPAC2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(F)cc2N)c1
InChIInChI=1S/C12H12FN3O2S/c1-8-4-5-15-12(6-8)16-19(17,18)11-3-2-9(13)7-10(11)14/h2-7H,14H2,1H3,(H,15,16)
InChIKeyBXGDPICVYFEFOX-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.91
Rot. Bonds3

About 2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide

2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 28514319) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID28514319
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(F)cc2N)c1
InChIInChI=1S/C12H12FN3O2S/c1-8-4-5-15-12(6-8)16-19(17,18)11-3-2-9(13)7-10(11)14/h2-7H,14H2,1H3,(H,15,16)
InChIKeyBXGDPICVYFEFOX-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

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 30049967
2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812633
2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 28548844
2,3,5,6-tetramethyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 6462198
N-(5-amino-4-methyl-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 61293161
2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzamide
CID 113228212
2-chloro-N-(4-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide
CID 113251215
2-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298856
2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 107571257
4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 850130
5-fluoro-2-methylsulfonylaniline
CID 22567345
4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide
CID 47001879

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide (CID 28514319) is 2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc(F)cc2N)c1.
What is the InChIKey of 2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is BXGDPICVYFEFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-8-4-5-15-12(6-8)16-19(17,18)11-3-2-9(13)7-10(11)14/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide 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-4-fluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 28514319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).