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

C14H11N7O2S — CID 118266127

IUPAC3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1-c1nn[nH]n1
InChIInChI=1S/C14H11N7O2S/c15-24(22,23)11-3-1-2-10(12(11)14-18-20-21-19-14)9-6-8-4-5-16-13(8)17-7-9/h1-7H,(H,16,17)(H2,15,22,23)(H,18,19,20,21)
InChIKeyGGSREOYBSXOHDG-UHFFFAOYSA-N
MW341.36 g/mol
LogP1.06
Rot. Bonds3

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

3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266127) has the molecular formula C14H11N7O2S and a molecular weight of 341.36 g/mol. Its IUPAC name is 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266127
Molecular FormulaC14H11N7O2S
Molecular Weight341.36 g/mol
Exact Mass341.07
IUPAC Name3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1-c1nn[nH]n1
InChIInChI=1S/C14H11N7O2S/c15-24(22,23)11-3-1-2-10(12(11)14-18-20-21-19-14)9-6-8-4-5-16-13(8)17-7-9/h1-7H,(H,16,17)(H2,15,22,23)(H,18,19,20,21)
InChIKeyGGSREOYBSXOHDG-UHFFFAOYSA-N
XLogP1.06
TPSA143.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266127) is 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1-c1nn[nH]n1.
What is the InChIKey of 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is GGSREOYBSXOHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O2S/c15-24(22,23)11-3-1-2-10(12(11)14-18-20-21-19-14)9-6-8-4-5-16-13(8)17-7-9/h1-7H,(H,16,17)(H2,15,22,23)(H,18,19,20,21).
What are the key properties of 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 341.36 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).