5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide

C13H15FN4O2S — CID 79898902

IUPAC5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2cc(N)cc(F)c2C)n1
InChIInChI=1S/C13H15FN4O2S/c1-7-4-8(2)17-13(16-7)18-21(19,20)12-6-10(15)5-11(14)9(12)3/h4-6H,15H2,1-3H3,(H,16,17,18)
InChIKeyCZWPVYDNJQPXSD-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.92
Rot. Bonds3

About 5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide

5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide (PubChem CID 79898902) has the molecular formula C13H15FN4O2S and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide
PubChem CID79898902
Molecular FormulaC13H15FN4O2S
Molecular Weight310.35 g/mol
Exact Mass310.09
IUPAC Name5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2cc(N)cc(F)c2C)n1
InChIInChI=1S/C13H15FN4O2S/c1-7-4-8(2)17-13(16-7)18-21(19,20)12-6-10(15)5-11(14)9(12)3/h4-6H,15H2,1-3H3,(H,16,17,18)
InChIKeyCZWPVYDNJQPXSD-UHFFFAOYSA-N
XLogP1.92
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.92
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-N-(4,6-dimethyl-2-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide
CID 114931837
5-amino-4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-fluorobenzenesulfonamide
CID 116529549
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79897066
5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898624
5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide
CID 43256532
5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 29301609
5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide
CID 79896105
5-amino-3-fluoro-N-(1H-imidazol-2-yl)-2-methylbenzenesulfonamide
CID 79895976
5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327934
5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide
CID 79896534
3-amino-5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-fluorobenzenesulfonamide
CID 103050411
5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 79896455

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide (CID 79898902) is 5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2cc(N)cc(F)c2C)n1.
What is the InChIKey of 5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide?
The InChIKey is CZWPVYDNJQPXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2S/c1-7-4-8(2)17-13(16-7)18-21(19,20)12-6-10(15)5-11(14)9(12)3/h4-6H,15H2,1-3H3,(H,16,17,18).
What are the key properties of 5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide?
5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 79898902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).