4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide

C12H12FN3O2S — CID 55201311

IUPAC4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C12H12FN3O2S/c1-8-4-5-15-7-11(8)16-19(17,18)12-3-2-9(14)6-10(12)13/h2-7,16H,14H2,1H3
InChIKeyGPCYVPCTMHGFBL-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.91
Rot. Bonds3

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

4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 55201311) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID55201311
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C12H12FN3O2S/c1-8-4-5-15-7-11(8)16-19(17,18)12-3-2-9(14)6-10(12)13/h2-7,16H,14H2,1H3
InChIKeyGPCYVPCTMHGFBL-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

4-amino-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667957
5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 79897021
2-amino-4,5-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329850
3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201115
5-amino-3-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79896756
5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 83165893
3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329939
4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669668
N-(5-amino-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 16773575
N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527254
N-(5-amino-2-fluorophenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43604953
4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83165562

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide (CID 55201311) is 4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide is Cc1ccncc1NS(=O)(=O)c1ccc(N)cc1F.
What is the InChIKey of 4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is GPCYVPCTMHGFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-8-4-5-15-7-11(8)16-19(17,18)12-3-2-9(14)6-10(12)13/h2-7,16H,14H2,1H3.
What are the key properties of 4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
4-amino-2-fluoro-N-(4-methyl-3-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 4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 55201311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).