5-amino-3-fluoro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide

C13H14FN3O3S — CID 79900684

IUPAC5-amino-3-fluoro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C13H14FN3O3S/c1-8-11(14)5-9(15)6-12(8)21(19,20)16-10-3-4-13(18)17(2)7-10/h3-7,16H,15H2,1-2H3
InChIKeyBUWKPJJOJCWUNB-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.22
Rot. Bonds3

About 5-amino-3-fluoro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide

5-amino-3-fluoro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide (PubChem CID 79900684) has the molecular formula C13H14FN3O3S and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-amino-3-fluoro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-fluoro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
PubChem CID79900684
Molecular FormulaC13H14FN3O3S
Molecular Weight311.34 g/mol
Exact Mass311.07
IUPAC Name5-amino-3-fluoro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C13H14FN3O3S/c1-8-11(14)5-9(15)6-12(8)21(19,20)16-10-3-4-13(18)17(2)7-10/h3-7,16H,15H2,1-2H3
InChIKeyBUWKPJJOJCWUNB-UHFFFAOYSA-N
XLogP1.22
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-2,N,N-trimethyl-benzenesulfonamide
CID 235529
4-amino-N,N-dimethyl-2-sulfamoylbenzamide
CID 11064601
5-amino-N,N-diethyl-2-methylbenzene-1-sulfonamide
CID 3643281
(E)-3-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)sulfonylprop-2-enamide
CID 56657996
5-Amino-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
CID 3772597
5-amino-N-(2-fluorophenyl)-2-methylbenzene-1-sulfonamide
CID 4657583
N-[3-(dipropylsulfamoyl)-4-methylphenyl]acetamide
CID 24245421
(Z)-2-fluoro-N-methyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide
CID 71261387
(E)-2-fluoro-N-methyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide
CID 71261413
5-amino-3-fluoro-N,N,2-trimethylbenzenesulfonamide
CID 79896536
5-amino-N,N-dimethyl-2-(trifluoromethyl)benzenesulfonamide
CID 162727332
3-amino-2-fluoro-N,N,6-trimethylbenzenesulfonamide
CID 162727601

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-fluoro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-amino-3-fluoro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide (CID 79900684) is 5-amino-3-fluoro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-fluoro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-fluoro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide is Cc1c(F)cc(N)cc1S(=O)(=O)Nc1ccc(=O)n(C)c1.
What is the InChIKey of 5-amino-3-fluoro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The InChIKey is BUWKPJJOJCWUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S/c1-8-11(14)5-9(15)6-12(8)21(19,20)16-10-3-4-13(18)17(2)7-10/h3-7,16H,15H2,1-2H3.
What are the key properties of 5-amino-3-fluoro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
5-amino-3-fluoro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide has a molecular weight of 311.34 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-fluoro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 79900684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).