2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfonamide

C16H13FN4O2S — CID 77050680

IUPAC2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfonamide
SMILESNc1cnc(-c2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cn1
InChIInChI=1S/C16H13FN4O2S/c17-13-7-10(11-3-1-2-4-15(11)24(19,22)23)5-6-12(13)14-8-21-16(18)9-20-14/h1-9H,(H2,18,21)(H2,19,22,23)
InChIKeySXONKUBZFICRAY-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.18
Rot. Bonds3

About 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfonamide

2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfonamide (PubChem CID 77050680) has the molecular formula C16H13FN4O2S and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfonamide
PubChem CID77050680
Molecular FormulaC16H13FN4O2S
Molecular Weight344.37 g/mol
Exact Mass344.07
IUPAC Name2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfonamide
SMILESNc1cnc(-c2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cn1
InChIInChI=1S/C16H13FN4O2S/c17-13-7-10(11-3-1-2-4-15(11)24(19,22)23)5-6-12(13)14-8-21-16(18)9-20-14/h1-9H,(H2,18,21)(H2,19,22,23)
InChIKeySXONKUBZFICRAY-UHFFFAOYSA-N
XLogP2.18
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfonamide?
The IUPAC name of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfonamide (CID 77050680) is 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfonamide.
What is the SMILES notation for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfonamide?
The canonical SMILES for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfonamide is Nc1cnc(-c2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cn1.
What is the InChIKey of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfonamide?
The InChIKey is SXONKUBZFICRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2S/c17-13-7-10(11-3-1-2-4-15(11)24(19,22)23)5-6-12(13)14-8-21-16(18)9-20-14/h1-9H,(H2,18,21)(H2,19,22,23).
What are the key properties of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfonamide?
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfonamide has a molecular weight of 344.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfonamide is sourced from PubChem (CID 77050680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).