N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-phenylmethanesulfonamide

C15H17N3O2S — CID 70842495

IUPACN-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCC1CNc2ncccc21
InChIInChI=1S/C15H17N3O2S/c19-21(20,11-12-5-2-1-3-6-12)18-10-13-9-17-15-14(13)7-4-8-16-15/h1-8,13,18H,9-11H2,(H,16,17)
InChIKeyZLCIIBUKLRBVQY-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.71
Rot. Bonds5

About N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-phenylmethanesulfonamide

N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-phenylmethanesulfonamide (PubChem CID 70842495) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-phenylmethanesulfonamide
PubChem CID70842495
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCC1CNc2ncccc21
InChIInChI=1S/C15H17N3O2S/c19-21(20,11-12-5-2-1-3-6-12)18-10-13-9-17-15-14(13)7-4-8-16-15/h1-8,13,18H,9-11H2,(H,16,17)
InChIKeyZLCIIBUKLRBVQY-UHFFFAOYSA-N
XLogP1.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-phenylmethanesulfonamide (CID 70842495) is N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCC1CNc2ncccc21.
What is the InChIKey of N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-phenylmethanesulfonamide?
The InChIKey is ZLCIIBUKLRBVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-21(20,11-12-5-2-1-3-6-12)18-10-13-9-17-15-14(13)7-4-8-16-15/h1-8,13,18H,9-11H2,(H,16,17).
What are the key properties of N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-phenylmethanesulfonamide?
N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-phenylmethanesulfonamide has a molecular weight of 303.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 70842495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).