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

C11H9FN4O4S — CID 115421878

IUPAC4-fluoro-3-methyl-5-nitro-N-pyrazin-2-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cnccn2)cc([N+](=O)[O-])c1F
InChIInChI=1S/C11H9FN4O4S/c1-7-4-8(5-9(11(7)12)16(17)18)21(19,20)15-10-6-13-2-3-14-10/h2-6H,1H3,(H,14,15)
InChIKeyAJNFZAVMLXBWBJ-UHFFFAOYSA-N
MW312.28 g/mol
LogP1.63
Rot. Bonds4

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

4-fluoro-3-methyl-5-nitro-N-pyrazin-2-ylbenzenesulfonamide (PubChem CID 115421878) has the molecular formula C11H9FN4O4S and a molecular weight of 312.28 g/mol. Its IUPAC name is 4-fluoro-3-methyl-5-nitro-N-pyrazin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-5-nitro-N-pyrazin-2-ylbenzenesulfonamide
PubChem CID115421878
Molecular FormulaC11H9FN4O4S
Molecular Weight312.28 g/mol
Exact Mass312.03
IUPAC Name4-fluoro-3-methyl-5-nitro-N-pyrazin-2-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cnccn2)cc([N+](=O)[O-])c1F
InChIInChI=1S/C11H9FN4O4S/c1-7-4-8(5-9(11(7)12)16(17)18)21(19,20)15-10-6-13-2-3-14-10/h2-6H,1H3,(H,14,15)
InChIKeyAJNFZAVMLXBWBJ-UHFFFAOYSA-N
XLogP1.63
TPSA115.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(1H-imidazol-2-yl)-3-methyl-5-nitrobenzenesulfonamide
CID 115421974
4-fluoro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-nitrobenzenesulfonamide
CID 115421813
3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide
CID 116791557
4-fluoro-3-methyl-5-nitro-N-piperidin-1-ylbenzenesulfonamide
CID 83017405
4-fluoro-3-methyl-5-nitro-N-prop-2-ynylbenzenesulfonamide
CID 113306303
N-(2,2-dimethylpropyl)-4-fluoro-3-methyl-5-nitrobenzenesulfonamide
CID 115421914
3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide
CID 43616050
N-(3-aminopropyl)-4-fluoro-3-methyl-5-nitrobenzenesulfonamide
CID 115421926
4-fluoro-3-methyl-5-nitro-N-(oxetan-3-yl)benzenesulfonamide
CID 113306312
4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-nitrobenzenesulfonamide
CID 115421893
4-fluoro-3-methyl-N-(2-methylbut-3-yn-2-yl)-5-nitrobenzenesulfonamide
CID 115421983
4-fluoro-3-methyl-5-nitro-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 107856720

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-5-nitro-N-pyrazin-2-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-5-nitro-N-pyrazin-2-ylbenzenesulfonamide (CID 115421878) is 4-fluoro-3-methyl-5-nitro-N-pyrazin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-5-nitro-N-pyrazin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-5-nitro-N-pyrazin-2-ylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cnccn2)cc([N+](=O)[O-])c1F.
What is the InChIKey of 4-fluoro-3-methyl-5-nitro-N-pyrazin-2-ylbenzenesulfonamide?
The InChIKey is AJNFZAVMLXBWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O4S/c1-7-4-8(5-9(11(7)12)16(17)18)21(19,20)15-10-6-13-2-3-14-10/h2-6H,1H3,(H,14,15).
What are the key properties of 4-fluoro-3-methyl-5-nitro-N-pyrazin-2-ylbenzenesulfonamide?
4-fluoro-3-methyl-5-nitro-N-pyrazin-2-ylbenzenesulfonamide has a molecular weight of 312.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-5-nitro-N-pyrazin-2-ylbenzenesulfonamide is sourced from PubChem (CID 115421878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).