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

C15H15N3O2S — CID 162256037

IUPACN-(1-phenylethyl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide
SMILESCC(NS(=O)(=O)C1=NCc2ncccc21)c1ccccc1
InChIInChI=1S/C15H15N3O2S/c1-11(12-6-3-2-4-7-12)18-21(19,20)15-13-8-5-9-16-14(13)10-17-15/h2-9,11,18H,10H2,1H3
InChIKeyFSYMYOADGNYENV-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.02
Rot. Bonds3

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

N-(1-phenylethyl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide (PubChem CID 162256037) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(1-phenylethyl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide
PubChem CID162256037
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(1-phenylethyl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide
SMILESCC(NS(=O)(=O)C1=NCc2ncccc21)c1ccccc1
InChIInChI=1S/C15H15N3O2S/c1-11(12-6-3-2-4-7-12)18-21(19,20)15-13-8-5-9-16-14(13)10-17-15/h2-9,11,18H,10H2,1H3
InChIKeyFSYMYOADGNYENV-UHFFFAOYSA-N
XLogP2.02
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-phenylphenyl)ethyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide
CID 158054125
3-amino-N-(1-phenylethyl)pyridine-2-sulfonamide
CID 103303814
2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide
CID 107864042
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide
CID 1274088
N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 95738742
N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide
CID 101377414
N-(1-cyclohexyl-3-hydroxypropan-2-yl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(2S)-3-fluoro-4,4-diphenylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide
CID 159099812
2-hydrazinyl-N-(1-phenylethyl)pyrimidine-5-sulfonamide
CID 61328714
2-amino-N-(1-phenylethyl)benzenesulfonamide
CID 16788499
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846846

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide?
The IUPAC name of N-(1-phenylethyl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide (CID 162256037) is N-(1-phenylethyl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for N-(1-phenylethyl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide?
The canonical SMILES for N-(1-phenylethyl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide is CC(NS(=O)(=O)C1=NCc2ncccc21)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide?
The InChIKey is FSYMYOADGNYENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-11(12-6-3-2-4-7-12)18-21(19,20)15-13-8-5-9-16-14(13)10-17-15/h2-9,11,18H,10H2,1H3.
What are the key properties of N-(1-phenylethyl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide?
N-(1-phenylethyl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 162256037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).