3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C14H11N7O2S — CID 118266099

IUPAC3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cnc3cc[nH]c3c2)c1-c1nn[nH]n1
InChIInChI=1S/C14H11N7O2S/c15-24(22,23)12-3-1-2-9(13(12)14-18-20-21-19-14)8-6-11-10(17-7-8)4-5-16-11/h1-7,16H,(H2,15,22,23)(H,18,19,20,21)
InChIKeyKRZNPCHQRJYQOO-UHFFFAOYSA-N
MW341.36 g/mol
LogP1.06
Rot. Bonds3

About 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266099) has the molecular formula C14H11N7O2S and a molecular weight of 341.36 g/mol. Its IUPAC name is 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266099
Molecular FormulaC14H11N7O2S
Molecular Weight341.36 g/mol
Exact Mass341.07
IUPAC Name3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cnc3cc[nH]c3c2)c1-c1nn[nH]n1
InChIInChI=1S/C14H11N7O2S/c15-24(22,23)12-3-1-2-9(13(12)14-18-20-21-19-14)8-6-11-10(17-7-8)4-5-16-11/h1-7,16H,(H2,15,22,23)(H,18,19,20,21)
InChIKeyKRZNPCHQRJYQOO-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

Analyze 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide with MolForge

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Related Compounds

3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118256964
3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266587
3-(5-aminopyridin-2-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 118266258
3-(2-amino-1H-imidazo[4,5-c]pyridin-7-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266367
2-(1H-tetrazol-5-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]benzenesulfonamide
CID 118266515
3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266127
3-imidazo[1,2-a]pyridin-3-yl-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 118266539
US10221163, Example 320
CID 135311118
US10221163, Example 219
CID 137537669
US10221163, Example 282
CID 139269225
US10221163, Example 326
CID 139269249
US10221163, Example 359
CID 139269271

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266099) is 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2cnc3cc[nH]c3c2)c1-c1nn[nH]n1.
What is the InChIKey of 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is KRZNPCHQRJYQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O2S/c15-24(22,23)12-3-1-2-9(13(12)14-18-20-21-19-14)8-6-11-10(17-7-8)4-5-16-11/h1-7,16H,(H2,15,22,23)(H,18,19,20,21).
What are the key properties of 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(1H-pyrrolo[3,2-b]pyridin-6-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[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).