3-amino-2,4-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide

C12H11F2N3O2S — CID 107343103

IUPAC3-amino-2,4-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)c(N)c2F)nc1
InChIInChI=1S/C12H11F2N3O2S/c1-7-2-5-10(16-6-7)17-20(18,19)9-4-3-8(13)12(15)11(9)14/h2-6H,15H2,1H3,(H,16,17)
InChIKeyBZRWXHHHQCYBET-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.05
Rot. Bonds3

About 3-amino-2,4-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide

3-amino-2,4-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 107343103) has the molecular formula C12H11F2N3O2S and a molecular weight of 299.30 g/mol. Its IUPAC name is 3-amino-2,4-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID107343103
Molecular FormulaC12H11F2N3O2S
Molecular Weight299.30 g/mol
Exact Mass299.05
IUPAC Name3-amino-2,4-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)c(N)c2F)nc1
InChIInChI=1S/C12H11F2N3O2S/c1-7-2-5-10(16-6-7)17-20(18,19)9-4-3-8(13)12(15)11(9)14/h2-6H,15H2,1H3,(H,16,17)
InChIKeyBZRWXHHHQCYBET-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

3-amino-2,4-difluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584491
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide
CID 107343064
5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 29276222
2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 25035216
3-amino-2,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 107343891
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,4-difluorobenzenesulfonamide
CID 107343922
3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 107343056
2,3-dichloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 9330124
2-hydrazinyl-N-(5-methyl-2-pyridinyl)pyridine-3-sulfonamide
CID 43456730
N-(3-amino-2,4-difluorophenyl)-3-fluoro-2,4-dimethylbenzenesulfonamide
CID 171763125
6-hydrazinyl-N-(5-methyl-2-pyridinyl)pyridine-3-sulfonamide
CID 29054363

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,4-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide (CID 107343103) is 3-amino-2,4-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(F)c(N)c2F)nc1.
What is the InChIKey of 3-amino-2,4-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is BZRWXHHHQCYBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2S/c1-7-2-5-10(16-6-7)17-20(18,19)9-4-3-8(13)12(15)11(9)14/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-2,4-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
3-amino-2,4-difluoro-N-(5-methyl-2-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 3-amino-2,4-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 107343103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).