4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-N-pyridin-2-ylbenzenesulfonamide

C23H18N6O2S — CID 52942088

IUPAC4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-N-pyridin-2-ylbenzenesulfonamide
SMILESNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C23H18N6O2S/c24-22-21-19(16-6-2-1-3-7-16)14-29(23(21)27-15-26-22)17-9-11-18(12-10-17)32(30,31)28-20-8-4-5-13-25-20/h1-15H,(H,25,28)(H2,24,26,27)
InChIKeyFTNDRAYELRWNAF-UHFFFAOYSA-N
MW442.50 g/mol
LogP3.87
Rot. Bonds5

About 4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-N-pyridin-2-ylbenzenesulfonamide

4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 52942088) has the molecular formula C23H18N6O2S and a molecular weight of 442.50 g/mol. Its IUPAC name is 4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-N-pyridin-2-ylbenzenesulfonamide
PubChem CID52942088
Molecular FormulaC23H18N6O2S
Molecular Weight442.50 g/mol
Exact Mass442.12
IUPAC Name4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-N-pyridin-2-ylbenzenesulfonamide
SMILESNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C23H18N6O2S/c24-22-21-19(16-6-2-1-3-7-16)14-29(23(21)27-15-26-22)17-9-11-18(12-10-17)32(30,31)28-20-8-4-5-13-25-20/h1-15H,(H,25,28)(H2,24,26,27)
InChIKeyFTNDRAYELRWNAF-UHFFFAOYSA-N
XLogP3.87
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-N-pyridin-2-ylbenzenesulfonamide (CID 52942088) is 4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-N-pyridin-2-ylbenzenesulfonamide is Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is FTNDRAYELRWNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2S/c24-22-21-19(16-6-2-1-3-7-16)14-29(23(21)27-15-26-22)17-9-11-18(12-10-17)32(30,31)28-20-8-4-5-13-25-20/h1-15H,(H,25,28)(H2,24,26,27).
What are the key properties of 4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-N-pyridin-2-ylbenzenesulfonamide?
4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 442.50 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 52942088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).