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

C25H19FN4O3S — CID 130368214

IUPAC2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(1S)-2-hydroxy-1H-inden-1-yl]benzenesulfonamide
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H]3C(O)=Cc4ccccc43)cc2F)cn1
InChIInChI=1S/C25H19FN4O3S/c26-20-11-16(9-10-19(20)21-13-29-24(27)14-28-21)17-6-3-4-8-23(17)34(32,33)30-25-18-7-2-1-5-15(18)12-22(25)31/h1-14,25,30-31H,(H2,27,29)/t25-/m0/s1
InChIKeyRUOWWGMNAUNXEE-VWLOTQADSA-N
MW474.52 g/mol
LogP4.46
Rot. Bonds5

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

2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(1S)-2-hydroxy-1H-inden-1-yl]benzenesulfonamide (PubChem CID 130368214) has the molecular formula C25H19FN4O3S and a molecular weight of 474.52 g/mol. Its IUPAC name is 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(1S)-2-hydroxy-1H-inden-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(1S)-2-hydroxy-1H-inden-1-yl]benzenesulfonamide
PubChem CID130368214
Molecular FormulaC25H19FN4O3S
Molecular Weight474.52 g/mol
Exact Mass474.12
IUPAC Name2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(1S)-2-hydroxy-1H-inden-1-yl]benzenesulfonamide
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H]3C(O)=Cc4ccccc43)cc2F)cn1
InChIInChI=1S/C25H19FN4O3S/c26-20-11-16(9-10-19(20)21-13-29-24(27)14-28-21)17-6-3-4-8-23(17)34(32,33)30-25-18-7-2-1-5-15(18)12-22(25)31/h1-14,25,30-31H,(H2,27,29)/t25-/m0/s1
InChIKeyRUOWWGMNAUNXEE-VWLOTQADSA-N
XLogP4.46
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 54.46
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-[(1S)-2-hydroxy-1H-inden-1-yl]benzenesulfonamide?
The IUPAC name of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(1S)-2-hydroxy-1H-inden-1-yl]benzenesulfonamide (CID 130368214) is 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(1S)-2-hydroxy-1H-inden-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(1S)-2-hydroxy-1H-inden-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(1S)-2-hydroxy-1H-inden-1-yl]benzenesulfonamide is Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H]3C(O)=Cc4ccccc43)cc2F)cn1.
What is the InChIKey of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(1S)-2-hydroxy-1H-inden-1-yl]benzenesulfonamide?
The InChIKey is RUOWWGMNAUNXEE-VWLOTQADSA-N. The full InChI is InChI=1S/C25H19FN4O3S/c26-20-11-16(9-10-19(20)21-13-29-24(27)14-28-21)17-6-3-4-8-23(17)34(32,33)30-25-18-7-2-1-5-15(18)12-22(25)31/h1-14,25,30-31H,(H2,27,29)/t25-/m0/s1.
What are the key properties of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(1S)-2-hydroxy-1H-inden-1-yl]benzenesulfonamide?
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(1S)-2-hydroxy-1H-inden-1-yl]benzenesulfonamide has a molecular weight of 474.52 g/mol, XLogP of 4.46, 5 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-[(1S)-2-hydroxy-1H-inden-1-yl]benzenesulfonamide is sourced from PubChem (CID 130368214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).