N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide

C17H18N4O4S — CID 113040718

IUPACN-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCc3ccco3)nn2)cc1C
InChIInChI=1S/C17H18N4O4S/c1-12-10-14(5-6-15(12)24-2)26(22,23)21-17-8-7-16(19-20-17)18-11-13-4-3-9-25-13/h3-10H,11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyVGMBPNUDKRCURD-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.80
Rot. Bonds7

About N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide

N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 113040718) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
PubChem CID113040718
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC NameN-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCc3ccco3)nn2)cc1C
InChIInChI=1S/C17H18N4O4S/c1-12-10-14(5-6-15(12)24-2)26(22,23)21-17-8-7-16(19-20-17)18-11-13-4-3-9-25-13/h3-10H,11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyVGMBPNUDKRCURD-UHFFFAOYSA-N
XLogP2.80
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide
CID 113037875
4-methoxy-3-methyl-N-[6-(2-methylpropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038524
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113040746
N-[4-[[6-(furan-2-ylmethylamino)pyridazin-3-yl]sulfamoyl]phenyl]acetamide
CID 113040735
(2R)-N-(furan-2-ylmethyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 93480656
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113040738
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
N-(furan-2-ylmethyl)-4-methoxy-3-methylaniline
CID 61059640
N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
CID 113041327
5-(furan-2-ylmethylsulfamoyl)-2-methoxybenzamide
CID 34027934
N-(2,5-dimethoxyphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117456
5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide
CID 113011418

Frequently Asked Questions

What is the IUPAC name of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide (CID 113040718) is N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(NCc3ccco3)nn2)cc1C.
What is the InChIKey of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is VGMBPNUDKRCURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-12-10-14(5-6-15(12)24-2)26(22,23)21-17-8-7-16(19-20-17)18-11-13-4-3-9-25-13/h3-10H,11H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide?
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 374.42 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 113040718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).