N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide

C14H15N5O2S2 — CID 91629727

IUPACN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(NCc1cnn2c1CCCC2)c1cccc2nsnc12
InChIInChI=1S/C14H15N5O2S2/c20-23(21,13-6-3-4-11-14(13)18-22-17-11)16-9-10-8-15-19-7-2-1-5-12(10)19/h3-4,6,8,16H,1-2,5,7,9H2
InChIKeyHPJATGPLEBJRRZ-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.70
Rot. Bonds4

About N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide

N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 91629727) has the molecular formula C14H15N5O2S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID91629727
Molecular FormulaC14H15N5O2S2
Molecular Weight349.44 g/mol
Exact Mass349.07
IUPAC NameN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(NCc1cnn2c1CCCC2)c1cccc2nsnc12
InChIInChI=1S/C14H15N5O2S2/c20-23(21,13-6-3-4-11-14(13)18-22-17-11)16-9-10-8-15-19-7-2-1-5-12(10)19/h3-4,6,8,16H,1-2,5,7,9H2
InChIKeyHPJATGPLEBJRRZ-UHFFFAOYSA-N
XLogP1.70
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide (CID 91629727) is N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide is O=S(=O)(NCc1cnn2c1CCCC2)c1cccc2nsnc12.
What is the InChIKey of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is HPJATGPLEBJRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S2/c20-23(21,13-6-3-4-11-14(13)18-22-17-11)16-9-10-8-15-19-7-2-1-5-12(10)19/h3-4,6,8,16H,1-2,5,7,9H2.
What are the key properties of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 349.44 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 91629727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).