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

C20H19N5O2S — CID 122307338

IUPACN-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCNc1ccc(-n2cccc2)nn1)c1ccc2ccccc2c1
InChIInChI=1S/C20H19N5O2S/c26-28(27,18-8-7-16-5-1-2-6-17(16)15-18)22-12-11-21-19-9-10-20(24-23-19)25-13-3-4-14-25/h1-10,13-15,22H,11-12H2,(H,21,23)
InChIKeyDSOBVLGYUZKHLF-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.81
Rot. Bonds7

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

N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-sulfonamide (PubChem CID 122307338) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-sulfonamide
PubChem CID122307338
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCNc1ccc(-n2cccc2)nn1)c1ccc2ccccc2c1
InChIInChI=1S/C20H19N5O2S/c26-28(27,18-8-7-16-5-1-2-6-17(16)15-18)22-12-11-21-19-9-10-20(24-23-19)25-13-3-4-14-25/h1-10,13-15,22H,11-12H2,(H,21,23)
InChIKeyDSOBVLGYUZKHLF-UHFFFAOYSA-N
XLogP2.81
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 122307342
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]cyclopropanesulfonamide
CID 122307547
1-(4-fluorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]methanesulfonamide
CID 122307552
3,5-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1H-pyrazole-4-sulfonamide
CID 122307562
4-iodo-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122308806
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 16654431
3,5-difluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 122292893
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-4-phenylbenzenesulfonamide
CID 122293009
N-(2-bromoethyl)naphthalene-2-sulfonamide
CID 4737381
4-cyano-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 122292941
N-nonylnaphthalene-2-sulfonamide
CID 19681387

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-sulfonamide (CID 122307338) is N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-sulfonamide is O=S(=O)(NCCNc1ccc(-n2cccc2)nn1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-sulfonamide?
The InChIKey is DSOBVLGYUZKHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c26-28(27,18-8-7-16-5-1-2-6-17(16)15-18)22-12-11-21-19-9-10-20(24-23-19)25-13-3-4-14-25/h1-10,13-15,22H,11-12H2,(H,21,23).
What are the key properties of N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-sulfonamide?
N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-sulfonamide has a molecular weight of 393.47 g/mol, XLogP of 2.81, 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]naphthalene-2-sulfonamide is sourced from PubChem (CID 122307338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).