N-[1-(4-phenylphenyl)ethyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide

C21H19N3O2S — CID 158054125

IUPACN-[1-(4-phenylphenyl)ethyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide
SMILESCC(NS(=O)(=O)C1=NCc2ncccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19N3O2S/c1-15(16-9-11-18(12-10-16)17-6-3-2-4-7-17)24-27(25,26)21-19-8-5-13-22-20(19)14-23-21/h2-13,15,24H,14H2,1H3
InChIKeyWMJZZIFQKHYLLB-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.69
Rot. Bonds4

About N-[1-(4-phenylphenyl)ethyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide

N-[1-(4-phenylphenyl)ethyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide (PubChem CID 158054125) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[1-(4-phenylphenyl)ethyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-phenylphenyl)ethyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide
PubChem CID158054125
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-[1-(4-phenylphenyl)ethyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide
SMILESCC(NS(=O)(=O)C1=NCc2ncccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19N3O2S/c1-15(16-9-11-18(12-10-16)17-6-3-2-4-7-17)24-27(25,26)21-19-8-5-13-22-20(19)14-23-21/h2-13,15,24H,14H2,1H3
InChIKeyWMJZZIFQKHYLLB-UHFFFAOYSA-N
XLogP3.69
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenylphenyl)ethyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide?
The IUPAC name of N-[1-(4-phenylphenyl)ethyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide (CID 158054125) is N-[1-(4-phenylphenyl)ethyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for N-[1-(4-phenylphenyl)ethyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide?
The canonical SMILES for N-[1-(4-phenylphenyl)ethyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide is CC(NS(=O)(=O)C1=NCc2ncccc21)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[1-(4-phenylphenyl)ethyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide?
The InChIKey is WMJZZIFQKHYLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-15(16-9-11-18(12-10-16)17-6-3-2-4-7-17)24-27(25,26)21-19-8-5-13-22-20(19)14-23-21/h2-13,15,24H,14H2,1H3.
What are the key properties of N-[1-(4-phenylphenyl)ethyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide?
N-[1-(4-phenylphenyl)ethyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide has a molecular weight of 377.47 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenylphenyl)ethyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 158054125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).