N-[[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methyl]benzenesulfonamide

C24H24N4O3S — CID 59540529

IUPACN-[[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methyl]benzenesulfonamide
SMILESCC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(CNS(=O)(=O)c4ccccc4)c3)nc12
InChIInChI=1S/C24H24N4O3S/c1-24(2,3)22(29)19-14-25-23-21(19)28-20(15-26-23)17-9-7-8-16(12-17)13-27-32(30,31)18-10-5-4-6-11-18/h4-12,14-15,27H,13H2,1-3H3,(H,25,26)
InChIKeyNBXRCLVHPUCNEQ-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.33
Rot. Bonds6

About N-[[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methyl]benzenesulfonamide

N-[[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methyl]benzenesulfonamide (PubChem CID 59540529) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methyl]benzenesulfonamide
PubChem CID59540529
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC NameN-[[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methyl]benzenesulfonamide
SMILESCC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(CNS(=O)(=O)c4ccccc4)c3)nc12
InChIInChI=1S/C24H24N4O3S/c1-24(2,3)22(29)19-14-25-23-21(19)28-20(15-26-23)17-9-7-8-16(12-17)13-27-32(30,31)18-10-5-4-6-11-18/h4-12,14-15,27H,13H2,1-3H3,(H,25,26)
InChIKeyNBXRCLVHPUCNEQ-UHFFFAOYSA-N
XLogP4.33
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-[[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methyl]benzenesulfonamide (CID 59540529) is N-[[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methyl]benzenesulfonamide is CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(CNS(=O)(=O)c4ccccc4)c3)nc12.
What is the InChIKey of N-[[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methyl]benzenesulfonamide?
The InChIKey is NBXRCLVHPUCNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-24(2,3)22(29)19-14-25-23-21(19)28-20(15-26-23)17-9-7-8-16(12-17)13-27-32(30,31)18-10-5-4-6-11-18/h4-12,14-15,27H,13H2,1-3H3,(H,25,26).
What are the key properties of N-[[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methyl]benzenesulfonamide?
N-[[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methyl]benzenesulfonamide has a molecular weight of 448.55 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 59540529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).