4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide

C12H11F2N3O2S — CID 63669668

IUPAC4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cnccc1NS(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C12H11F2N3O2S/c1-7-6-16-3-2-11(7)17-20(18,19)12-9(13)4-8(15)5-10(12)14/h2-6H,15H2,1H3,(H,16,17)
InChIKeyLWJCMCSUMBFPSS-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.05
Rot. Bonds3

About 4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide

4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 63669668) has the molecular formula C12H11F2N3O2S and a molecular weight of 299.30 g/mol. Its IUPAC name is 4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID63669668
Molecular FormulaC12H11F2N3O2S
Molecular Weight299.30 g/mol
Exact Mass299.05
IUPAC Name4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cnccc1NS(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C12H11F2N3O2S/c1-7-6-16-3-2-11(7)17-20(18,19)12-9(13)4-8(15)5-10(12)14/h2-6H,15H2,1H3,(H,16,17)
InChIKeyLWJCMCSUMBFPSS-UHFFFAOYSA-N
XLogP2.05
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.05
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

5-amino-3-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79896756
4-amino-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667957
3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667962
4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 107594699
4-amino-2,6-difluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698255
4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669666
4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 60984738
5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 79897021
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448
4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201311
5-amino-2-chloro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667966
3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79889835

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide (CID 63669668) is 4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide is Cc1cnccc1NS(=O)(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is LWJCMCSUMBFPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2S/c1-7-6-16-3-2-11(7)17-20(18,19)12-9(13)4-8(15)5-10(12)14/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide has a molecular weight of 299.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 63669668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).