2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide

C25H23FN4O3S — CID 135360356

IUPAC2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)C(O)c1ccccc1
InChIInChI=1S/C25H23FN4O3S/c1-16(25(31)17-7-3-2-4-8-17)30-34(32,33)23-10-6-5-9-19(23)18-11-12-20(21(26)13-18)22-14-29-24(27)15-28-22/h2-16,25,30-31H,1H3,(H2,27,29)
InChIKeyILKBYOWTWQVVFF-UHFFFAOYSA-N
MW478.55 g/mol
LogP3.93
Rot. Bonds7

About 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide

2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide (PubChem CID 135360356) has the molecular formula C25H23FN4O3S and a molecular weight of 478.55 g/mol. Its IUPAC name is 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide
PubChem CID135360356
Molecular FormulaC25H23FN4O3S
Molecular Weight478.55 g/mol
Exact Mass478.15
IUPAC Name2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)C(O)c1ccccc1
InChIInChI=1S/C25H23FN4O3S/c1-16(25(31)17-7-3-2-4-8-17)30-34(32,33)23-10-6-5-9-19(23)18-11-12-20(21(26)13-18)22-14-29-24(27)15-28-22/h2-16,25,30-31H,1H3,(H2,27,29)
InChIKeyILKBYOWTWQVVFF-UHFFFAOYSA-N
XLogP3.93
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide (CID 135360356) is 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide is CC(NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)C(O)c1ccccc1.
What is the InChIKey of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide?
The InChIKey is ILKBYOWTWQVVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3S/c1-16(25(31)17-7-3-2-4-8-17)30-34(32,33)23-10-6-5-9-19(23)18-11-12-20(21(26)13-18)22-14-29-24(27)15-28-22/h2-16,25,30-31H,1H3,(H2,27,29).
What are the key properties of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide?
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide has a molecular weight of 478.55 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 135360356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).