4-cyano-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide

C16H15N7O2S — CID 122292941

IUPAC4-cyano-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCNc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C16H15N7O2S/c17-12-13-2-4-14(5-3-13)26(24,25)20-10-9-18-15-6-7-16(22-21-15)23-11-1-8-19-23/h1-8,11,20H,9-10H2,(H,18,21)
InChIKeyLDBISMQGGMQQBB-UHFFFAOYSA-N
MW369.41 g/mol
LogP0.92
Rot. Bonds7

About 4-cyano-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide

4-cyano-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide (PubChem CID 122292941) has the molecular formula C16H15N7O2S and a molecular weight of 369.41 g/mol. Its IUPAC name is 4-cyano-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
PubChem CID122292941
Molecular FormulaC16H15N7O2S
Molecular Weight369.41 g/mol
Exact Mass369.10
IUPAC Name4-cyano-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCNc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C16H15N7O2S/c17-12-13-2-4-14(5-3-13)26(24,25)20-10-9-18-15-6-7-16(22-21-15)23-11-1-8-19-23/h1-8,11,20H,9-10H2,(H,18,21)
InChIKeyLDBISMQGGMQQBB-UHFFFAOYSA-N
XLogP0.92
TPSA125.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide (CID 122292941) is 4-cyano-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCCNc2ccc(-n3cccn3)nn2)cc1.
What is the InChIKey of 4-cyano-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is LDBISMQGGMQQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2S/c17-12-13-2-4-14(5-3-13)26(24,25)20-10-9-18-15-6-7-16(22-21-15)23-11-1-8-19-23/h1-8,11,20H,9-10H2,(H,18,21).
What are the key properties of 4-cyano-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide?
4-cyano-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 369.41 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 122292941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).