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

C16H23N5O3S — CID 16941927

IUPACN-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCCCN(C)C)nn2)cc1
InChIInChI=1S/C16H23N5O3S/c1-21(2)12-4-11-17-15-9-10-16(19-18-15)20-25(22,23)14-7-5-13(24-3)6-8-14/h5-10H,4,11-12H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyTUTGSFDHEVJARE-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.65
Rot. Bonds9

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

N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-methoxybenzenesulfonamide (PubChem CID 16941927) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-methoxybenzenesulfonamide
PubChem CID16941927
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC NameN-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCCCN(C)C)nn2)cc1
InChIInChI=1S/C16H23N5O3S/c1-21(2)12-4-11-17-15-9-10-16(19-18-15)20-25(22,23)14-7-5-13(24-3)6-8-14/h5-10H,4,11-12H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyTUTGSFDHEVJARE-UHFFFAOYSA-N
XLogP1.65
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-methoxybenzenesulfonamide (CID 16941927) is N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(NCCCN(C)C)nn2)cc1.
What is the InChIKey of N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-methoxybenzenesulfonamide?
The InChIKey is TUTGSFDHEVJARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-21(2)12-4-11-17-15-9-10-16(19-18-15)20-25(22,23)14-7-5-13(24-3)6-8-14/h5-10H,4,11-12H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-methoxybenzenesulfonamide?
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-methoxybenzenesulfonamide has a molecular weight of 365.46 g/mol, XLogP of 1.65, 9 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-methoxybenzenesulfonamide is sourced from PubChem (CID 16941927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).