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

C10H9FN4O2S — CID 43616050

IUPAC3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cnccn2)ccc1F
InChIInChI=1S/C10H9FN4O2S/c11-8-2-1-7(5-9(8)12)18(16,17)15-10-6-13-3-4-14-10/h1-6H,12H2,(H,14,15)
InChIKeyJAABFUKBBYEWBU-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.00
Rot. Bonds3

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

3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide (PubChem CID 43616050) has the molecular formula C10H9FN4O2S and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide
PubChem CID43616050
Molecular FormulaC10H9FN4O2S
Molecular Weight268.27 g/mol
Exact Mass268.04
IUPAC Name3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cnccn2)ccc1F
InChIInChI=1S/C10H9FN4O2S/c11-8-2-1-7(5-9(8)12)18(16,17)15-10-6-13-3-4-14-10/h1-6H,12H2,(H,14,15)
InChIKeyJAABFUKBBYEWBU-UHFFFAOYSA-N
XLogP1.00
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.00
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-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide
CID 116791557
CID 131880907
CID 131880907
3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 29034135
4-bromo-N-pyrazin-2-ylbenzenesulfonamide
CID 22772873
2-fluoro-N-pyrazin-2-ylbenzenesulfonamide
CID 43616158
4-(methylamino)-N-pyrazin-2-ylbenzenesulfonamide
CID 43616210
3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide
CID 103093961
3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43539756
N-pyrazin-2-yl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43616214
2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide
CID 62146847
4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 82844573
3-amino-N-(2-bromo-5-chlorophenyl)-4-fluorobenzenesulfonamide
CID 81262729

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide (CID 43616050) is 3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2cnccn2)ccc1F.
What is the InChIKey of 3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide?
The InChIKey is JAABFUKBBYEWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2S/c11-8-2-1-7(5-9(8)12)18(16,17)15-10-6-13-3-4-14-10/h1-6H,12H2,(H,14,15).
What are the key properties of 3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide?
3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide has a molecular weight of 268.27 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide is sourced from PubChem (CID 43616050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).