N-(5-amino-2,4-difluorophenyl)-3-fluoropyridine-2-sulfonamide

C11H8F3N3O2S — CID 103298579

IUPACN-(5-amino-2,4-difluorophenyl)-3-fluoropyridine-2-sulfonamide
SMILESNc1cc(NS(=O)(=O)c2ncccc2F)c(F)cc1F
InChIInChI=1S/C11H8F3N3O2S/c12-6-2-1-3-16-11(6)20(18,19)17-10-5-9(15)7(13)4-8(10)14/h1-5,17H,15H2
InChIKeyCLPZLXHWJBUPDJ-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.88
Rot. Bonds3

About N-(5-amino-2,4-difluorophenyl)-3-fluoropyridine-2-sulfonamide

N-(5-amino-2,4-difluorophenyl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103298579) has the molecular formula C11H8F3N3O2S and a molecular weight of 303.27 g/mol. Its IUPAC name is N-(5-amino-2,4-difluorophenyl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2,4-difluorophenyl)-3-fluoropyridine-2-sulfonamide
PubChem CID103298579
Molecular FormulaC11H8F3N3O2S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC NameN-(5-amino-2,4-difluorophenyl)-3-fluoropyridine-2-sulfonamide
SMILESNc1cc(NS(=O)(=O)c2ncccc2F)c(F)cc1F
InChIInChI=1S/C11H8F3N3O2S/c12-6-2-1-3-16-11(6)20(18,19)17-10-5-9(15)7(13)4-8(10)14/h1-5,17H,15H2
InChIKeyCLPZLXHWJBUPDJ-UHFFFAOYSA-N
XLogP1.88
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.88
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

N-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103585478
N-(3-amino-4-pyridinyl)-3-fluoropyridine-2-sulfonamide
CID 103298603
3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299037
N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299113
N-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593177
N-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103298617
5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid
CID 103298604
N-(2-bromo-5-fluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 107625069
N-(4-chloro-2-hydroxyphenyl)-3-fluoropyridine-2-sulfonamide
CID 103300750
N-(2-bromo-4-chlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103300294
3-amino-N-(2,6-difluorophenyl)pyridine-2-sulfonamide
CID 103304250
N-(2,3-dichlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299163

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-difluorophenyl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(5-amino-2,4-difluorophenyl)-3-fluoropyridine-2-sulfonamide (CID 103298579) is N-(5-amino-2,4-difluorophenyl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(5-amino-2,4-difluorophenyl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(5-amino-2,4-difluorophenyl)-3-fluoropyridine-2-sulfonamide is Nc1cc(NS(=O)(=O)c2ncccc2F)c(F)cc1F.
What is the InChIKey of N-(5-amino-2,4-difluorophenyl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is CLPZLXHWJBUPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2S/c12-6-2-1-3-16-11(6)20(18,19)17-10-5-9(15)7(13)4-8(10)14/h1-5,17H,15H2.
What are the key properties of N-(5-amino-2,4-difluorophenyl)-3-fluoropyridine-2-sulfonamide?
N-(5-amino-2,4-difluorophenyl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 303.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-difluorophenyl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103298579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).