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

C13H14FN3O2S — CID 116791990

IUPAC3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ncccc1NS(=O)(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C13H14FN3O2S/c1-8-11(14)6-10(7-12(8)15)20(18,19)17-13-4-3-5-16-9(13)2/h3-7,17H,15H2,1-2H3
InChIKeyRCRUKDKSVOEOIW-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.22
Rot. Bonds3

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

3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 116791990) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID116791990
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ncccc1NS(=O)(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C13H14FN3O2S/c1-8-11(14)6-10(7-12(8)15)20(18,19)17-13-4-3-5-16-9(13)2/h3-7,17H,15H2,1-2H3
InChIKeyRCRUKDKSVOEOIW-UHFFFAOYSA-N
XLogP2.22
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79042553
3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 116791313
3-amino-2,5-dimethyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79889757
3-fluoro-N-(2-methyl-3-pyridinyl)-4-nitrobenzenesulfonamide
CID 82847321
3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 28536061
3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide
CID 116791557
3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 116791368
3-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 116791365
5-amino-2-fluoro-3-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 80646356
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-chloro-N-(4-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
CID 61107975

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide (CID 116791990) is 3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide is Cc1ncccc1NS(=O)(=O)c1cc(N)c(C)c(F)c1.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is RCRUKDKSVOEOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-8-11(14)6-10(7-12(8)15)20(18,19)17-13-4-3-5-16-9(13)2/h3-7,17H,15H2,1-2H3.
What are the key properties of 3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide?
3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 2.22, 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-(2-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 116791990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).