3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide

C11H11FN4O2S — CID 116791557

IUPAC3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2cnccn2)cc1F
InChIInChI=1S/C11H11FN4O2S/c1-7-9(12)4-8(5-10(7)13)19(17,18)16-11-6-14-2-3-15-11/h2-6H,13H2,1H3,(H,15,16)
InChIKeyVTWALURCUTYSRL-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.31
Rot. Bonds3

About 3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide

3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide (PubChem CID 116791557) has the molecular formula C11H11FN4O2S and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide
PubChem CID116791557
Molecular FormulaC11H11FN4O2S
Molecular Weight282.30 g/mol
Exact Mass282.06
IUPAC Name3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2cnccn2)cc1F
InChIInChI=1S/C11H11FN4O2S/c1-7-9(12)4-8(5-10(7)13)19(17,18)16-11-6-14-2-3-15-11/h2-6H,13H2,1H3,(H,15,16)
InChIKeyVTWALURCUTYSRL-UHFFFAOYSA-N
XLogP1.31
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.31
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

3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide
CID 43616050
3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 116791313
3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide
CID 106503931
3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide
CID 114379006
3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 116791990
3-amino-N-(6-chloropyridazin-3-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116792388
5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide
CID 43616062
CID 131880907
CID 131880907
4-fluoro-3-methyl-5-nitro-N-pyrazin-2-ylbenzenesulfonamide
CID 115421878
3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 116792346
3-amino-5-fluoro-4-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 116792354
4-(methylamino)-N-pyrazin-2-ylbenzenesulfonamide
CID 43616210

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide (CID 116791557) is 3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide is Cc1c(N)cc(S(=O)(=O)Nc2cnccn2)cc1F.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide?
The InChIKey is VTWALURCUTYSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2S/c1-7-9(12)4-8(5-10(7)13)19(17,18)16-11-6-14-2-3-15-11/h2-6H,13H2,1H3,(H,15,16).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide?
3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide has a molecular weight of 282.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide is sourced from PubChem (CID 116791557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).