5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide

C12H12FN3O2S — CID 107584501

IUPAC5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cncc(NS(=O)(=O)c2cc(N)ccc2F)c1
InChIInChI=1S/C12H12FN3O2S/c1-8-4-10(7-15-6-8)16-19(17,18)12-5-9(14)2-3-11(12)13/h2-7,16H,14H2,1H3
InChIKeyATDVARZYKKSYHN-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.91
Rot. Bonds3

About 5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide

5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 107584501) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID107584501
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cncc(NS(=O)(=O)c2cc(N)ccc2F)c1
InChIInChI=1S/C12H12FN3O2S/c1-8-4-10(7-15-6-8)16-19(17,18)12-5-9(14)2-3-11(12)13/h2-7,16H,14H2,1H3
InChIKeyATDVARZYKKSYHN-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

5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584553
3-amino-2,4-difluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584491
5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 107584508
5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107585840
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide
CID 107571249
5-amino-2-bromo-4-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584554
5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 43255417
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 79733311
N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide
CID 43602694
5-amino-N-(3-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 107624395
2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106088068
5-amino-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 43255416

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide (CID 107584501) is 5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide is Cc1cncc(NS(=O)(=O)c2cc(N)ccc2F)c1.
What is the InChIKey of 5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is ATDVARZYKKSYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-8-4-10(7-15-6-8)16-19(17,18)12-5-9(14)2-3-11(12)13/h2-7,16H,14H2,1H3.
What are the key properties of 5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
5-amino-2-fluoro-N-(5-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 5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 107584501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).