N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide

C15H15N5O3S2 — CID 122280996

IUPACN-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=c1cc2c(nn1CCNS(=O)(=O)c1cccc3nsnc13)CCC2
InChIInChI=1S/C15H15N5O3S2/c21-14-9-10-3-1-4-11(10)17-20(14)8-7-16-25(22,23)13-6-2-5-12-15(13)19-24-18-12/h2,5-6,9,16H,1,3-4,7-8H2
InChIKeyHXQIEFHPTLJFRY-UHFFFAOYSA-N
MW377.45 g/mol
LogP0.72
Rot. Bonds5

About N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide

N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 122280996) has the molecular formula C15H15N5O3S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID122280996
Molecular FormulaC15H15N5O3S2
Molecular Weight377.45 g/mol
Exact Mass377.06
IUPAC NameN-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=c1cc2c(nn1CCNS(=O)(=O)c1cccc3nsnc13)CCC2
InChIInChI=1S/C15H15N5O3S2/c21-14-9-10-3-1-4-11(10)17-20(14)8-7-16-25(22,23)13-6-2-5-12-15(13)19-24-18-12/h2,5-6,9,16H,1,3-4,7-8H2
InChIKeyHXQIEFHPTLJFRY-UHFFFAOYSA-N
XLogP0.72
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide (CID 122280996) is N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide is O=c1cc2c(nn1CCNS(=O)(=O)c1cccc3nsnc13)CCC2.
What is the InChIKey of N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is HXQIEFHPTLJFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S2/c21-14-9-10-3-1-4-11(10)17-20(14)8-7-16-25(22,23)13-6-2-5-12-15(13)19-24-18-12/h2,5-6,9,16H,1,3-4,7-8H2.
What are the key properties of N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide?
N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 377.45 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 122280996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).