[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]hydrazine

C14H16N4O2S — CID 61004578

IUPAC[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]hydrazine
SMILESNNc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccn1
InChIInChI=1S/C14H16N4O2S/c15-17-14-9-13(5-7-16-14)21(19,20)18-8-6-11-3-1-2-4-12(11)10-18/h1-5,7,9H,6,8,10,15H2,(H,16,17)
InChIKeyWFLFLIQCOYDIDH-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.11
Rot. Bonds3

About [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]hydrazine

[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]hydrazine (PubChem CID 61004578) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]hydrazine
PubChem CID61004578
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]hydrazine
SMILESNNc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccn1
InChIInChI=1S/C14H16N4O2S/c15-17-14-9-13(5-7-16-14)21(19,20)18-8-6-11-3-1-2-4-12(11)10-18/h1-5,7,9H,6,8,10,15H2,(H,16,17)
InChIKeyWFLFLIQCOYDIDH-UHFFFAOYSA-N
XLogP1.11
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine
CID 62231059
[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-pyridinyl]hydrazine
CID 103300872
[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine
CID 63024668
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)aniline
CID 13098689
2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 808079
2-(1-methylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 110760272
[5-(1,3-dihydroisoindol-2-ylsulfonyl)-2-pyridinyl]hydrazine
CID 62231833
[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-pyridinyl]hydrazine
CID 62471385
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpyrimidin-2-amine
CID 62149543
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-5-methylaniline
CID 43256206
N-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 59826437
6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinazoline-2,4-diamine
CID 516587

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]hydrazine?
The IUPAC name of [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]hydrazine (CID 61004578) is [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]hydrazine is NNc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccn1.
What is the InChIKey of [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]hydrazine?
The InChIKey is WFLFLIQCOYDIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c15-17-14-9-13(5-7-16-14)21(19,20)18-8-6-11-3-1-2-4-12(11)10-18/h1-5,7,9H,6,8,10,15H2,(H,16,17).
What are the key properties of [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]hydrazine?
[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]hydrazine has a molecular weight of 304.38 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 61004578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).