N-(1-methylpyrazol-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide

C10H9N5O2S2 — CID 22209065

IUPACN-(1-methylpyrazol-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCn1ccc(NS(=O)(=O)c2cccc3nsnc23)n1
InChIInChI=1S/C10H9N5O2S2/c1-15-6-5-9(11-15)14-19(16,17)8-4-2-3-7-10(8)13-18-12-7/h2-6H,1H3,(H,11,14)
InChIKeyIWPUFSSISYPHGI-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.23
Rot. Bonds3

About N-(1-methylpyrazol-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide

N-(1-methylpyrazol-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 22209065) has the molecular formula C10H9N5O2S2 and a molecular weight of 295.35 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID22209065
Molecular FormulaC10H9N5O2S2
Molecular Weight295.35 g/mol
Exact Mass295.02
IUPAC NameN-(1-methylpyrazol-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCn1ccc(NS(=O)(=O)c2cccc3nsnc23)n1
InChIInChI=1S/C10H9N5O2S2/c1-15-6-5-9(11-15)14-19(16,17)8-4-2-3-7-10(8)13-18-12-7/h2-6H,1H3,(H,11,14)
InChIKeyIWPUFSSISYPHGI-UHFFFAOYSA-N
XLogP1.23
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide (CID 22209065) is N-(1-methylpyrazol-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide is Cn1ccc(NS(=O)(=O)c2cccc3nsnc23)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is IWPUFSSISYPHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2S2/c1-15-6-5-9(11-15)14-19(16,17)8-4-2-3-7-10(8)13-18-12-7/h2-6H,1H3,(H,11,14).
What are the key properties of N-(1-methylpyrazol-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
N-(1-methylpyrazol-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 295.35 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 22209065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).