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

C13H10N8O2S — CID 118266097

IUPAC3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cnc3[nH]ncc3c2)c1-c1nn[nH]n1
InChIInChI=1S/C13H10N8O2S/c14-24(22,23)10-3-1-2-9(11(10)13-18-20-21-19-13)7-4-8-6-16-17-12(8)15-5-7/h1-6H,(H2,14,22,23)(H,15,16,17)(H,18,19,20,21)
InChIKeyUHDNVHRMVOSNRJ-UHFFFAOYSA-N
MW342.34 g/mol
LogP0.45
Rot. Bonds3

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

3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266097) has the molecular formula C13H10N8O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is 3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266097
Molecular FormulaC13H10N8O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC Name3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cnc3[nH]ncc3c2)c1-c1nn[nH]n1
InChIInChI=1S/C13H10N8O2S/c14-24(22,23)10-3-1-2-9(11(10)13-18-20-21-19-13)7-4-8-6-16-17-12(8)15-5-7/h1-6H,(H2,14,22,23)(H,15,16,17)(H,18,19,20,21)
InChIKeyUHDNVHRMVOSNRJ-UHFFFAOYSA-N
XLogP0.45
TPSA156.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1H-indazol-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266110
3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266312
2-(2H-tetrazol-5-yl)-3-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 122687798
3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 171344422
3-(6-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266069
3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118257012
3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118265360
2-(2H-tetrazol-5-yl)-3-[4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]benzenesulfonamide
CID 118265928
3-[4-(3-aminopropyl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266200
3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266109
4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine
CID 122694139
3-(3-methylimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266442

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266097) is 3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2cnc3[nH]ncc3c2)c1-c1nn[nH]n1.
What is the InChIKey of 3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is UHDNVHRMVOSNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N8O2S/c14-24(22,23)10-3-1-2-9(11(10)13-18-20-21-19-13)7-4-8-6-16-17-12(8)15-5-7/h1-6H,(H2,14,22,23)(H,15,16,17)(H,18,19,20,21).
What are the key properties of 3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 342.34 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).