N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide

C17H17N3O5S — CID 121034447

IUPACN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C17H17N3O5S/c1-24-15-5-2-3-7-16(15)26(22,23)18-10-11-20-17(21)9-8-13(19-20)14-6-4-12-25-14/h2-9,12,18H,10-11H2,1H3
InChIKeyCPEMDEGOFAOKCZ-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.49
Rot. Bonds7

About N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide (PubChem CID 121034447) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide
PubChem CID121034447
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C17H17N3O5S/c1-24-15-5-2-3-7-16(15)26(22,23)18-10-11-20-17(21)9-8-13(19-20)14-6-4-12-25-14/h2-9,12,18H,10-11H2,1H3
InChIKeyCPEMDEGOFAOKCZ-UHFFFAOYSA-N
XLogP1.49
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 121034026
2,4-difluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 16905618
2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825990
2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 90539209
5-bromo-2-methoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825988
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16905583
5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide
CID 41241507
(E)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide
CID 121034453
2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121177465
2-ethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905515
2-(3-aminopropyl)-6-(furan-2-yl)pyridazin-3-one
CID 52903518
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(2-methoxy-4-methylphenoxy)propanamide
CID 121034335

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide (CID 121034447) is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NCCn1nc(-c2ccco2)ccc1=O.
What is the InChIKey of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is CPEMDEGOFAOKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-24-15-5-2-3-7-16(15)26(22,23)18-10-11-20-17(21)9-8-13(19-20)14-6-4-12-25-14/h2-9,12,18H,10-11H2,1H3.
What are the key properties of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide?
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 375.41 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 121034447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).