2-(2-aminophenyl)sulfanyl-N-pyridazin-3-ylethanesulfonamide

C12H14N4O2S2 — CID 116786165

IUPAC2-(2-aminophenyl)sulfanyl-N-pyridazin-3-ylethanesulfonamide
SMILESNc1ccccc1SCCS(=O)(=O)Nc1cccnn1
InChIInChI=1S/C12H14N4O2S2/c13-10-4-1-2-5-11(10)19-8-9-20(17,18)16-12-6-3-7-14-15-12/h1-7H,8-9,13H2,(H,15,16)
InChIKeyHNVZUELMJZDRAX-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.59
Rot. Bonds6

About 2-(2-aminophenyl)sulfanyl-N-pyridazin-3-ylethanesulfonamide

2-(2-aminophenyl)sulfanyl-N-pyridazin-3-ylethanesulfonamide (PubChem CID 116786165) has the molecular formula C12H14N4O2S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-pyridazin-3-ylethanesulfonamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-pyridazin-3-ylethanesulfonamide
PubChem CID116786165
Molecular FormulaC12H14N4O2S2
Molecular Weight310.40 g/mol
Exact Mass310.06
IUPAC Name2-(2-aminophenyl)sulfanyl-N-pyridazin-3-ylethanesulfonamide
SMILESNc1ccccc1SCCS(=O)(=O)Nc1cccnn1
InChIInChI=1S/C12H14N4O2S2/c13-10-4-1-2-5-11(10)19-8-9-20(17,18)16-12-6-3-7-14-15-12/h1-7H,8-9,13H2,(H,15,16)
InChIKeyHNVZUELMJZDRAX-UHFFFAOYSA-N
XLogP1.59
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenyl)sulfanyl-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
CID 116786253
2-(2-aminophenyl)sulfanyl-N-(2-methyl-4-pyridinyl)ethanesulfonamide
CID 79231178
2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide
CID 116787333
2-(ethylamino)-N-pyridazin-3-ylethanesulfonamide
CID 116787317
2-(2-aminophenyl)sulfanyl-N-(3-methylbut-2-enyl)ethanesulfonamide
CID 106180578
2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea
CID 83116775
2-(2-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide
CID 104827317
2-(2-aminophenyl)sulfanyl-N-(2-methylprop-2-enyl)ethanesulfonamide
CID 114615068
2-(2-aminophenyl)sulfanyl-N-(3-hydroxybutyl)ethanesulfonamide
CID 64927625
1-cyano-N-pyridazin-3-ylethanesulfonamide
CID 116787093
4-amino-N-pyridazin-3-ylnaphthalene-1-sulfonamide
CID 116787332
2-(2-aminophenyl)sulfanyl-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872921

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-pyridazin-3-ylethanesulfonamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-pyridazin-3-ylethanesulfonamide (CID 116786165) is 2-(2-aminophenyl)sulfanyl-N-pyridazin-3-ylethanesulfonamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-pyridazin-3-ylethanesulfonamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-pyridazin-3-ylethanesulfonamide is Nc1ccccc1SCCS(=O)(=O)Nc1cccnn1.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-pyridazin-3-ylethanesulfonamide?
The InChIKey is HNVZUELMJZDRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S2/c13-10-4-1-2-5-11(10)19-8-9-20(17,18)16-12-6-3-7-14-15-12/h1-7H,8-9,13H2,(H,15,16).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-pyridazin-3-ylethanesulfonamide?
2-(2-aminophenyl)sulfanyl-N-pyridazin-3-ylethanesulfonamide has a molecular weight of 310.40 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-pyridazin-3-ylethanesulfonamide is sourced from PubChem (CID 116786165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).