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

C16H16N4O3S — CID 113040746

IUPACN-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(NCc2ccco2)nn1
InChIInChI=1S/C16H16N4O3S/c1-12-5-2-3-7-14(12)24(21,22)20-16-9-8-15(18-19-16)17-11-13-6-4-10-23-13/h2-10H,11H2,1H3,(H,17,18)(H,19,20)
InChIKeyFALOOTPAXPVYTA-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.79
Rot. Bonds6

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

N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide (PubChem CID 113040746) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
PubChem CID113040746
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(NCc2ccco2)nn1
InChIInChI=1S/C16H16N4O3S/c1-12-5-2-3-7-14(12)24(21,22)20-16-9-8-15(18-19-16)17-11-13-6-4-10-23-13/h2-10H,11H2,1H3,(H,17,18)(H,19,20)
InChIKeyFALOOTPAXPVYTA-UHFFFAOYSA-N
XLogP2.79
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
CID 113040718
N-[4-[[6-(furan-2-ylmethylamino)pyridazin-3-yl]sulfamoyl]phenyl]acetamide
CID 113040735
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113040001
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113026317
N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113041877
N-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113044074
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113040656
N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113040931
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113040738
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113047599
4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113040944
1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea
CID 113040691

Frequently Asked Questions

What is the IUPAC name of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide (CID 113040746) is N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc(NCc2ccco2)nn1.
What is the InChIKey of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide?
The InChIKey is FALOOTPAXPVYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-12-5-2-3-7-14(12)24(21,22)20-16-9-8-15(18-19-16)17-11-13-6-4-10-23-13/h2-10H,11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide?
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide has a molecular weight of 344.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 113040746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).