3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide

C13H13N3O2S — CID 67570814

IUPAC3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cnc3c(c2)CCN3)c1
InChIInChI=1S/C13H13N3O2S/c14-19(17,18)12-3-1-2-9(7-12)11-6-10-4-5-15-13(10)16-8-11/h1-3,6-8H,4-5H2,(H,15,16)(H2,14,17,18)
InChIKeyUSGHJQFGEDHEBX-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.36
Rot. Bonds2

About 3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide

3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide (PubChem CID 67570814) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
PubChem CID67570814
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cnc3c(c2)CCN3)c1
InChIInChI=1S/C13H13N3O2S/c14-19(17,18)12-3-1-2-9(7-12)11-6-10-4-5-15-13(10)16-8-11/h1-3,6-8H,4-5H2,(H,15,16)(H2,14,17,18)
InChIKeyUSGHJQFGEDHEBX-UHFFFAOYSA-N
XLogP1.36
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide?
The IUPAC name of 3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide (CID 67570814) is 3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2cnc3c(c2)CCN3)c1.
What is the InChIKey of 3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide?
The InChIKey is USGHJQFGEDHEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c14-19(17,18)12-3-1-2-9(7-12)11-6-10-4-5-15-13(10)16-8-11/h1-3,6-8H,4-5H2,(H,15,16)(H2,14,17,18).
What are the key properties of 3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide?
3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide has a molecular weight of 275.33 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide is sourced from PubChem (CID 67570814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).