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

C13H14FN3O2S — CID 79897021

IUPAC5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1cc(N)cc(F)c1C
InChIInChI=1S/C13H14FN3O2S/c1-8-3-4-16-7-12(8)17-20(18,19)13-6-10(15)5-11(14)9(13)2/h3-7,17H,15H2,1-2H3
InChIKeyATYOIOLXRHBKNA-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.22
Rot. Bonds3

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

5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 79897021) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID79897021
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1cc(N)cc(F)c1C
InChIInChI=1S/C13H14FN3O2S/c1-8-3-4-16-7-12(8)17-20(18,19)13-6-10(15)5-11(14)9(13)2/h3-7,17H,15H2,1-2H3
InChIKeyATYOIOLXRHBKNA-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

5-amino-3-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79896756
4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201311
2-amino-4,5-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329850
4-amino-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667957
3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329939
4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669668
5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898634
5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898910
5-(aminomethyl)-N-(3-bromo-4-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide
CID 106075946
3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201115
5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 116786202
5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898902

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide (CID 79897021) is 5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide is Cc1ccncc1NS(=O)(=O)c1cc(N)cc(F)c1C.
What is the InChIKey of 5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is ATYOIOLXRHBKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-8-3-4-16-7-12(8)17-20(18,19)13-6-10(15)5-11(14)9(13)2/h3-7,17H,15H2,1-2H3.
What are the key properties of 5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
5-amino-3-fluoro-2-methyl-N-(4-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 5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 79897021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).