2-(2H-tetrazol-5-yl)-3-([1,2]thiazolo[4,3-b]pyridin-3-yl)benzenesulfonamide

C13H9N7O2S2 — CID 118266686

IUPAC2-(2H-tetrazol-5-yl)-3-([1,2]thiazolo[4,3-b]pyridin-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2snc3cccnc23)c1-c1nn[nH]n1
InChIInChI=1S/C13H9N7O2S2/c14-24(21,22)9-5-1-3-7(10(9)13-16-19-20-17-13)12-11-8(18-23-12)4-2-6-15-11/h1-6H,(H2,14,21,22)(H,16,17,19,20)
InChIKeyKJXPZMCLMJHEKI-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.19
Rot. Bonds3

About 2-(2H-tetrazol-5-yl)-3-([1,2]thiazolo[4,3-b]pyridin-3-yl)benzenesulfonamide

2-(2H-tetrazol-5-yl)-3-([1,2]thiazolo[4,3-b]pyridin-3-yl)benzenesulfonamide (PubChem CID 118266686) has the molecular formula C13H9N7O2S2 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)-3-([1,2]thiazolo[4,3-b]pyridin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)-3-([1,2]thiazolo[4,3-b]pyridin-3-yl)benzenesulfonamide
PubChem CID118266686
Molecular FormulaC13H9N7O2S2
Molecular Weight359.40 g/mol
Exact Mass359.03
IUPAC Name2-(2H-tetrazol-5-yl)-3-([1,2]thiazolo[4,3-b]pyridin-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2snc3cccnc23)c1-c1nn[nH]n1
InChIInChI=1S/C13H9N7O2S2/c14-24(21,22)9-5-1-3-7(10(9)13-16-19-20-17-13)12-11-8(18-23-12)4-2-6-15-11/h1-6H,(H2,14,21,22)(H,16,17,19,20)
InChIKeyKJXPZMCLMJHEKI-UHFFFAOYSA-N
XLogP1.19
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(2H-tetrazol-5-yl)-3-([1,2]thiazolo[4,3-b]pyridin-3-yl)benzenesulfonamide with MolForge

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Related Compounds

3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266312
3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 171344422
2-(2H-tetrazol-5-yl)-3-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 122687798
3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266109
2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine
CID 122694084
3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118265360
3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118257012
3-(6-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266069
3-[4-(3-aminopropyl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266200
3-(3-methylimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266442
3-(1H-indazol-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266110
3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266097

Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)-3-([1,2]thiazolo[4,3-b]pyridin-3-yl)benzenesulfonamide?
The IUPAC name of 2-(2H-tetrazol-5-yl)-3-([1,2]thiazolo[4,3-b]pyridin-3-yl)benzenesulfonamide (CID 118266686) is 2-(2H-tetrazol-5-yl)-3-([1,2]thiazolo[4,3-b]pyridin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)-3-([1,2]thiazolo[4,3-b]pyridin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-(2H-tetrazol-5-yl)-3-([1,2]thiazolo[4,3-b]pyridin-3-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2snc3cccnc23)c1-c1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)-3-([1,2]thiazolo[4,3-b]pyridin-3-yl)benzenesulfonamide?
The InChIKey is KJXPZMCLMJHEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N7O2S2/c14-24(21,22)9-5-1-3-7(10(9)13-16-19-20-17-13)12-11-8(18-23-12)4-2-6-15-11/h1-6H,(H2,14,21,22)(H,16,17,19,20).
What are the key properties of 2-(2H-tetrazol-5-yl)-3-([1,2]thiazolo[4,3-b]pyridin-3-yl)benzenesulfonamide?
2-(2H-tetrazol-5-yl)-3-([1,2]thiazolo[4,3-b]pyridin-3-yl)benzenesulfonamide has a molecular weight of 359.40 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)-3-([1,2]thiazolo[4,3-b]pyridin-3-yl)benzenesulfonamide is sourced from PubChem (CID 118266686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).