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

C13H14FN3O2S — CID 80646356

IUPAC5-amino-2-fluoro-3-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2cccnc2C)c1F
InChIInChI=1S/C13H14FN3O2S/c1-8-6-10(15)7-12(13(8)14)20(18,19)17-11-4-3-5-16-9(11)2/h3-7,17H,15H2,1-2H3
InChIKeyIDBHVRGVCGUBRP-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.22
Rot. Bonds3

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

5-amino-2-fluoro-3-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 80646356) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-amino-2-fluoro-3-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-3-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID80646356
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name5-amino-2-fluoro-3-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2cccnc2C)c1F
InChIInChI=1S/C13H14FN3O2S/c1-8-6-10(15)7-12(13(8)14)20(18,19)17-11-4-3-5-16-9(11)2/h3-7,17H,15H2,1-2H3
InChIKeyIDBHVRGVCGUBRP-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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Related Compounds

5-amino-N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80645770
5-amino-N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 103093919
5-amino-2-fluoro-N-(3-fluoro-2-methylphenyl)-3-methylbenzenesulfonamide
CID 80629184
5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629038
5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 80646555
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80641824
5-amino-N-(2-bromo-5-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 82744627
5-amino-N-(4-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80628443
5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide
CID 80645994
5-amino-2-fluoro-N-(4-fluoro-2-iodophenyl)-3-methylbenzenesulfonamide
CID 80640992
5-amino-N-(2-chloropyrimidin-4-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 116794695
3-amino-2,5-dimethyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79889757

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-3-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-3-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide (CID 80646356) is 5-amino-2-fluoro-3-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-3-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-3-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2cccnc2C)c1F.
What is the InChIKey of 5-amino-2-fluoro-3-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is IDBHVRGVCGUBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-8-6-10(15)7-12(13(8)14)20(18,19)17-11-4-3-5-16-9(11)2/h3-7,17H,15H2,1-2H3.
What are the key properties of 5-amino-2-fluoro-3-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide?
5-amino-2-fluoro-3-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 5-amino-2-fluoro-3-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 80646356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).