N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]cyclopropanesulfonamide

C13H17N5O2S — CID 122307547

IUPACN-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCNc1ccc(-n2cccc2)nn1)C1CC1
InChIInChI=1S/C13H17N5O2S/c19-21(20,11-3-4-11)15-8-7-14-12-5-6-13(17-16-12)18-9-1-2-10-18/h1-2,5-6,9-11,15H,3-4,7-8H2,(H,14,16)
InChIKeyCCYSLFWRAXMLPJ-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.76
Rot. Bonds7

About N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]cyclopropanesulfonamide

N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]cyclopropanesulfonamide (PubChem CID 122307547) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]cyclopropanesulfonamide
PubChem CID122307547
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC NameN-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCNc1ccc(-n2cccc2)nn1)C1CC1
InChIInChI=1S/C13H17N5O2S/c19-21(20,11-3-4-11)15-8-7-14-12-5-6-13(17-16-12)18-9-1-2-10-18/h1-2,5-6,9-11,15H,3-4,7-8H2,(H,14,16)
InChIKeyCCYSLFWRAXMLPJ-UHFFFAOYSA-N
XLogP0.76
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]methanesulfonamide
CID 122307552
4-phenyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 122307342
N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-sulfonamide
CID 122307338
3,5-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1H-pyrazole-4-sulfonamide
CID 122307562
N-[[4-[(6-pyrrol-1-ylpyridazin-3-yl)amino]cyclohexyl]methyl]ethanesulfonamide
CID 59231143
4-bromo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122307616
2-(2-chlorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122307372
N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 122307300
6-cyclopentyloxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 122307519
1-(2-ethylphenyl)-3-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122307316
4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122307431
1-(3,4-dimethylphenyl)-5-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyrrolidine-3-carboxamide
CID 122307370

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]cyclopropanesulfonamide (CID 122307547) is N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]cyclopropanesulfonamide is O=S(=O)(NCCNc1ccc(-n2cccc2)nn1)C1CC1.
What is the InChIKey of N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]cyclopropanesulfonamide?
The InChIKey is CCYSLFWRAXMLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c19-21(20,11-3-4-11)15-8-7-14-12-5-6-13(17-16-12)18-9-1-2-10-18/h1-2,5-6,9-11,15H,3-4,7-8H2,(H,14,16).
What are the key properties of N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]cyclopropanesulfonamide?
N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]cyclopropanesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 122307547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).