2-[4-(5-amino-6-methylpyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide

C21H23FN4O2S — CID 90313223

IUPAC2-[4-(5-amino-6-methylpyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide
SMILESCc1nc(-c2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2F)cnc1N
InChIInChI=1S/C21H23FN4O2S/c1-13-20(23)24-12-18(25-13)16-10-9-14(11-17(16)22)15-7-5-6-8-19(15)29(27,28)26-21(2,3)4/h5-12,26H,1-4H3,(H2,23,24)
InChIKeyVUKXSVHZAXJTNB-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.92
Rot. Bonds4

About 2-[4-(5-amino-6-methylpyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide

2-[4-(5-amino-6-methylpyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide (PubChem CID 90313223) has the molecular formula C21H23FN4O2S and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[4-(5-amino-6-methylpyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide.

Molecular Properties

Compound Name2-[4-(5-amino-6-methylpyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide
PubChem CID90313223
Molecular FormulaC21H23FN4O2S
Molecular Weight414.51 g/mol
Exact Mass414.15
IUPAC Name2-[4-(5-amino-6-methylpyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide
SMILESCc1nc(-c2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2F)cnc1N
InChIInChI=1S/C21H23FN4O2S/c1-13-20(23)24-12-18(25-13)16-10-9-14(11-17(16)22)15-7-5-6-8-19(15)29(27,28)26-21(2,3)4/h5-12,26H,1-4H3,(H2,23,24)
InChIKeyVUKXSVHZAXJTNB-UHFFFAOYSA-N
XLogP3.92
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-amino-6-methylpyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-6-methylpyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide?
The IUPAC name of 2-[4-(5-amino-6-methylpyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide (CID 90313223) is 2-[4-(5-amino-6-methylpyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide.
What is the SMILES notation for 2-[4-(5-amino-6-methylpyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide?
The canonical SMILES for 2-[4-(5-amino-6-methylpyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide is Cc1nc(-c2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2F)cnc1N.
What is the InChIKey of 2-[4-(5-amino-6-methylpyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide?
The InChIKey is VUKXSVHZAXJTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2S/c1-13-20(23)24-12-18(25-13)16-10-9-14(11-17(16)22)15-7-5-6-8-19(15)29(27,28)26-21(2,3)4/h5-12,26H,1-4H3,(H2,23,24).
What are the key properties of 2-[4-(5-amino-6-methylpyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide?
2-[4-(5-amino-6-methylpyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide has a molecular weight of 414.51 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-6-methylpyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide is sourced from PubChem (CID 90313223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).