N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide

C18H18N4O2S2 — CID 113042480

IUPACN-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCc4ccccc4C3)nn2)s1
InChIInChI=1S/C18H18N4O2S2/c1-13-6-9-18(25-13)26(23,24)21-16-7-8-17(20-19-16)22-11-10-14-4-2-3-5-15(14)12-22/h2-9H,10-12H2,1H3,(H,19,21)
InChIKeyYBFWEDLRFQAWTA-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.21
Rot. Bonds4

About N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide

N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide (PubChem CID 113042480) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
PubChem CID113042480
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC NameN-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCc4ccccc4C3)nn2)s1
InChIInChI=1S/C18H18N4O2S2/c1-13-6-9-18(25-13)26(23,24)21-16-7-8-17(20-19-16)22-11-10-14-4-2-3-5-15(14)12-22/h2-9H,10-12H2,1H3,(H,19,21)
InChIKeyYBFWEDLRFQAWTA-UHFFFAOYSA-N
XLogP3.21
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 113042478
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 113042471
N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113031841
N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113047421
5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113042391
5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113045782
N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113041587
2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113039063
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109121762
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 113042446
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]methyl]propan-2-amine
CID 62285310
N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113039493

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide (CID 113042480) is N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N3CCc4ccccc4C3)nn2)s1.
What is the InChIKey of N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide?
The InChIKey is YBFWEDLRFQAWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-13-6-9-18(25-13)26(23,24)21-16-7-8-17(20-19-16)22-11-10-14-4-2-3-5-15(14)12-22/h2-9H,10-12H2,1H3,(H,19,21).
What are the key properties of N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide?
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide has a molecular weight of 386.50 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 113042480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).