2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]benzenesulfonamide

C24H21FN4O3S — CID 90312922

IUPAC2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]benzenesulfonamide
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NC[C@H](O)c3ccccc3)cc2F)cn1
InChIInChI=1S/C24H21FN4O3S/c25-20-12-17(10-11-19(20)21-13-28-24(26)15-27-21)18-8-4-5-9-23(18)33(31,32)29-14-22(30)16-6-2-1-3-7-16/h1-13,15,22,29-30H,14H2,(H2,26,28)/t22-/m0/s1
InChIKeyZTVYZQXZWSEFBV-QFIPXVFZSA-N
MW464.52 g/mol
LogP3.54
Rot. Bonds7

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

2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]benzenesulfonamide (PubChem CID 90312922) has the molecular formula C24H21FN4O3S and a molecular weight of 464.52 g/mol. Its IUPAC name is 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]benzenesulfonamide
PubChem CID90312922
Molecular FormulaC24H21FN4O3S
Molecular Weight464.52 g/mol
Exact Mass464.13
IUPAC Name2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]benzenesulfonamide
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NC[C@H](O)c3ccccc3)cc2F)cn1
InChIInChI=1S/C24H21FN4O3S/c25-20-12-17(10-11-19(20)21-13-28-24(26)15-27-21)18-8-4-5-9-23(18)33(31,32)29-14-22(30)16-6-2-1-3-7-16/h1-13,15,22,29-30H,14H2,(H2,26,28)/t22-/m0/s1
InChIKeyZTVYZQXZWSEFBV-QFIPXVFZSA-N
XLogP3.54
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.54
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-[(2R)-2-hydroxy-2-phenylethyl]benzenesulfonamide?
The IUPAC name of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]benzenesulfonamide (CID 90312922) is 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]benzenesulfonamide is Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NC[C@H](O)c3ccccc3)cc2F)cn1.
What is the InChIKey of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]benzenesulfonamide?
The InChIKey is ZTVYZQXZWSEFBV-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H21FN4O3S/c25-20-12-17(10-11-19(20)21-13-28-24(26)15-27-21)18-8-4-5-9-23(18)33(31,32)29-14-22(30)16-6-2-1-3-7-16/h1-13,15,22,29-30H,14H2,(H2,26,28)/t22-/m0/s1.
What are the key properties of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]benzenesulfonamide?
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]benzenesulfonamide has a molecular weight of 464.52 g/mol, XLogP of 3.54, 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-[(2R)-2-hydroxy-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 90312922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).