3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide

C12H12FN3O2S — CID 116791313

IUPAC3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2ccncc2)cc1F
InChIInChI=1S/C12H12FN3O2S/c1-8-11(13)6-10(7-12(8)14)19(17,18)16-9-2-4-15-5-3-9/h2-7H,14H2,1H3,(H,15,16)
InChIKeyKSJJDJYTUNKHOI-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.91
Rot. Bonds3

About 3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide

3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 116791313) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide
PubChem CID116791313
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2ccncc2)cc1F
InChIInChI=1S/C12H12FN3O2S/c1-8-11(13)6-10(7-12(8)14)19(17,18)16-9-2-4-15-5-3-9/h2-7H,14H2,1H3,(H,15,16)
InChIKeyKSJJDJYTUNKHOI-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

3-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 116791365
3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide
CID 116791557
3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 116791990
3-amino-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 43255782
3-amino-N-(6-chloropyridazin-3-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116792388
3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 116792346
3-amino-5-fluoro-4-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 116792354
3-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809980
3-amino-N-(4-chlorophenyl)-4,5-dimethylbenzenesulfonamide
CID 29276916
3-amino-5-fluoro-N,4-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 116791517
5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 29040045
3-amino-5-fluoro-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903345

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide (CID 116791313) is 3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide is Cc1c(N)cc(S(=O)(=O)Nc2ccncc2)cc1F.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is KSJJDJYTUNKHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-8-11(13)6-10(7-12(8)14)19(17,18)16-9-2-4-15-5-3-9/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide?
3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide 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 3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 116791313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).