N-[[4-(thiadiazol-4-yl)phenyl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide

C15H12N6O2S2 — CID 16739166

IUPACN-[[4-(thiadiazol-4-yl)phenyl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2csnn2)cc1)c1[nH]nc2ncccc12
InChIInChI=1S/C15H12N6O2S2/c22-25(23,15-12-2-1-7-16-14(12)19-20-15)17-8-10-3-5-11(6-4-10)13-9-24-21-18-13/h1-7,9,17H,8H2,(H,16,19,20)
InChIKeyPEDNYVOMNQHVCU-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.95
Rot. Bonds5

About N-[[4-(thiadiazol-4-yl)phenyl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide

N-[[4-(thiadiazol-4-yl)phenyl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide (PubChem CID 16739166) has the molecular formula C15H12N6O2S2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[[4-(thiadiazol-4-yl)phenyl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[4-(thiadiazol-4-yl)phenyl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide
PubChem CID16739166
Molecular FormulaC15H12N6O2S2
Molecular Weight372.44 g/mol
Exact Mass372.05
IUPAC NameN-[[4-(thiadiazol-4-yl)phenyl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2csnn2)cc1)c1[nH]nc2ncccc12
InChIInChI=1S/C15H12N6O2S2/c22-25(23,15-12-2-1-7-16-14(12)19-20-15)17-8-10-3-5-11(6-4-10)13-9-24-21-18-13/h1-7,9,17H,8H2,(H,16,19,20)
InChIKeyPEDNYVOMNQHVCU-UHFFFAOYSA-N
XLogP1.95
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(thiadiazol-4-yl)phenyl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide?
The IUPAC name of N-[[4-(thiadiazol-4-yl)phenyl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide (CID 16739166) is N-[[4-(thiadiazol-4-yl)phenyl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-[[4-(thiadiazol-4-yl)phenyl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide?
The canonical SMILES for N-[[4-(thiadiazol-4-yl)phenyl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide is O=S(=O)(NCc1ccc(-c2csnn2)cc1)c1[nH]nc2ncccc12.
What is the InChIKey of N-[[4-(thiadiazol-4-yl)phenyl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide?
The InChIKey is PEDNYVOMNQHVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2S2/c22-25(23,15-12-2-1-7-16-14(12)19-20-15)17-8-10-3-5-11(6-4-10)13-9-24-21-18-13/h1-7,9,17H,8H2,(H,16,19,20).
What are the key properties of N-[[4-(thiadiazol-4-yl)phenyl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide?
N-[[4-(thiadiazol-4-yl)phenyl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide has a molecular weight of 372.44 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(thiadiazol-4-yl)phenyl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide is sourced from PubChem (CID 16739166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).