N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide

C17H25N5O3S — CID 113040198

IUPACN-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(NCCCN(C)C)nn2)cc1
InChIInChI=1S/C17H25N5O3S/c1-4-25-14-6-8-15(9-7-14)26(23,24)21-17-11-10-16(19-20-17)18-12-5-13-22(2)3/h6-11H,4-5,12-13H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyOKDHWILUOWXNJR-UHFFFAOYSA-N
MW379.49 g/mol
LogP2.04
Rot. Bonds10

About N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide

N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide (PubChem CID 113040198) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide
PubChem CID113040198
Molecular FormulaC17H25N5O3S
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC NameN-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(NCCCN(C)C)nn2)cc1
InChIInChI=1S/C17H25N5O3S/c1-4-25-14-6-8-15(9-7-14)26(23,24)21-17-11-10-16(19-20-17)18-12-5-13-22(2)3/h6-11H,4-5,12-13H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyOKDHWILUOWXNJR-UHFFFAOYSA-N
XLogP2.04
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 16941927
4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044745
N-[3-(dimethylamino)propyl]-4-ethoxybenzenesulfonamide
CID 4790143
3-[3-(dimethylamino)propylamino]-6-(dimethylsulfamoylamino)pyridazine
CID 113040165
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113038166
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113039174
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113046481
4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113038808
N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942060
N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 113038394
N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide
CID 113010994

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide (CID 113040198) is N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(NCCCN(C)C)nn2)cc1.
What is the InChIKey of N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide?
The InChIKey is OKDHWILUOWXNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S/c1-4-25-14-6-8-15(9-7-14)26(23,24)21-17-11-10-16(19-20-17)18-12-5-13-22(2)3/h6-11H,4-5,12-13H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide?
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide has a molecular weight of 379.49 g/mol, XLogP of 2.04, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 113040198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).