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

C12H11F2N3O2S — CID 115910794

IUPACN-(5-amino-3-methyl-2-pyridinyl)-3,4-difluorobenzenesulfonamide
SMILESCc1cc(N)cnc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H11F2N3O2S/c1-7-4-8(15)6-16-12(7)17-20(18,19)9-2-3-10(13)11(14)5-9/h2-6H,15H2,1H3,(H,16,17)
InChIKeyISJZYAJMGXBIFF-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.05
Rot. Bonds3

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

N-(5-amino-3-methyl-2-pyridinyl)-3,4-difluorobenzenesulfonamide (PubChem CID 115910794) has the molecular formula C12H11F2N3O2S and a molecular weight of 299.30 g/mol. Its IUPAC name is N-(5-amino-3-methyl-2-pyridinyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-3-methyl-2-pyridinyl)-3,4-difluorobenzenesulfonamide
PubChem CID115910794
Molecular FormulaC12H11F2N3O2S
Molecular Weight299.30 g/mol
Exact Mass299.05
IUPAC NameN-(5-amino-3-methyl-2-pyridinyl)-3,4-difluorobenzenesulfonamide
SMILESCc1cc(N)cnc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H11F2N3O2S/c1-7-4-8(15)6-16-12(7)17-20(18,19)9-2-3-10(13)11(14)5-9/h2-6H,15H2,1H3,(H,16,17)
InChIKeyISJZYAJMGXBIFF-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

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Related Compounds

N-(5-amino-3-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 115910815
N-(5-amino-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide
CID 115910806
N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167025
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167027
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 83166969
4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83167153
N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 61062760
3,4-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55260020
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 83167341
N-(5-amino-3-methyl-2-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996490
4-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3-chlorobenzenesulfonamide
CID 83170947
N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide
CID 43167024

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-3,4-difluorobenzenesulfonamide (CID 115910794) is N-(5-amino-3-methyl-2-pyridinyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-3-methyl-2-pyridinyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(5-amino-3-methyl-2-pyridinyl)-3,4-difluorobenzenesulfonamide is Cc1cc(N)cnc1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(5-amino-3-methyl-2-pyridinyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is ISJZYAJMGXBIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2S/c1-7-4-8(15)6-16-12(7)17-20(18,19)9-2-3-10(13)11(14)5-9/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of N-(5-amino-3-methyl-2-pyridinyl)-3,4-difluorobenzenesulfonamide?
N-(5-amino-3-methyl-2-pyridinyl)-3,4-difluorobenzenesulfonamide 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 N-(5-amino-3-methyl-2-pyridinyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 115910794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).