N-[(5-methylfuran-2-yl)methyl]-2-(pyridazine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide

C20H20N4O4S — CID 70781556

IUPACN-[(5-methylfuran-2-yl)methyl]-2-(pyridazine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cccnn2)CC3)o1
InChIInChI=1S/C20H20N4O4S/c1-14-4-6-17(28-14)12-22-29(26,27)18-7-5-15-8-10-24(13-16(15)11-18)20(25)19-3-2-9-21-23-19/h2-7,9,11,22H,8,10,12-13H2,1H3
InChIKeyUOAAGHLVRFHDCU-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.06
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-2-(pyridazine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide

N-[(5-methylfuran-2-yl)methyl]-2-(pyridazine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide (PubChem CID 70781556) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2-(pyridazine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-2-(pyridazine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
PubChem CID70781556
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-2-(pyridazine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cccnn2)CC3)o1
InChIInChI=1S/C20H20N4O4S/c1-14-4-6-17(28-14)12-22-29(26,27)18-7-5-15-8-10-24(13-16(15)11-18)20(25)19-3-2-9-21-23-19/h2-7,9,11,22H,8,10,12-13H2,1H3
InChIKeyUOAAGHLVRFHDCU-UHFFFAOYSA-N
XLogP2.06
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-methylfuran-2-yl)methyl]-2-(pyridazine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-methylfuran-2-yl)methyl]-2-(pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70780303
N-[(5-methylfuran-2-yl)methyl]-2-(2-methylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70727934
2-(2-hydroxy-3-methylbutanoyl)-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70740180
N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39855189
3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone
CID 110852369
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-3-ylmethanone
CID 110855244
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 53025638
2-(pyrazine-2-carbonyl)-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide
CID 70715972
2-acetyl-N-(3-pyridin-3-ylpropyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110616042
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-ethyl-4-methylbenzenesulfonamide
CID 17451861
2-(4-methyl-1H-pyrrole-2-carbonyl)-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70777660
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-(pyridazine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-(pyridazine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide (CID 70781556) is N-[(5-methylfuran-2-yl)methyl]-2-(pyridazine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2-(pyridazine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2-(pyridazine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cccnn2)CC3)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2-(pyridazine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The InChIKey is UOAAGHLVRFHDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-14-4-6-17(28-14)12-22-29(26,27)18-7-5-15-8-10-24(13-16(15)11-18)20(25)19-3-2-9-21-23-19/h2-7,9,11,22H,8,10,12-13H2,1H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2-(pyridazine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
N-[(5-methylfuran-2-yl)methyl]-2-(pyridazine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide has a molecular weight of 412.47 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-2-(pyridazine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide is sourced from PubChem (CID 70781556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).