N-(8-benzyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-6-yl)benzenesulfonamide

C26H24N4O2S — CID 11554304

IUPACN-(8-benzyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-6-yl)benzenesulfonamide
SMILESO=S(=O)(NC1Cc2cc(-c3ccccc3)nnc2N(Cc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C26H24N4O2S/c31-33(32,24-14-8-3-9-15-24)29-23-16-22-17-25(21-12-6-2-7-13-21)27-28-26(22)30(19-23)18-20-10-4-1-5-11-20/h1-15,17,23,29H,16,18-19H2
InChIKeyYQHWLEFTKNPJOL-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.05
Rot. Bonds6

About N-(8-benzyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-6-yl)benzenesulfonamide

N-(8-benzyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-6-yl)benzenesulfonamide (PubChem CID 11554304) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-(8-benzyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-6-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(8-benzyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-6-yl)benzenesulfonamide
PubChem CID11554304
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC NameN-(8-benzyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-6-yl)benzenesulfonamide
SMILESO=S(=O)(NC1Cc2cc(-c3ccccc3)nnc2N(Cc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C26H24N4O2S/c31-33(32,24-14-8-3-9-15-24)29-23-16-22-17-25(21-12-6-2-7-13-21)27-28-26(22)30(19-23)18-20-10-4-1-5-11-20/h1-15,17,23,29H,16,18-19H2
InChIKeyYQHWLEFTKNPJOL-UHFFFAOYSA-N
XLogP4.05
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(8-benzyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-6-yl)benzenesulfonamide with MolForge

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Related Compounds

8-benzyl-6-methyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazine
CID 58671539
N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide
CID 59778201
N-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
CID 59778187
N-[(3R)-1-benzyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]-3-fluorobenzenesulfonamide
CID 58670127
N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
CID 66757324
N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide
CID 11350637
N-[1-(benzenesulfonyl)-6-phenyl-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
CID 25006923
N-[6-chloro-1-(cyclohexylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
CID 11270072
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
1-benzyl-6-phenyl-N-phenylsulfanyl-3,4-dihydro-2H-1,8-naphthyridin-3-amine
CID 143262459
N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide
CID 155880238
N-(1-benzylazetidin-3-yl)-4-methylbenzenesulfonamide
CID 11324550

Frequently Asked Questions

What is the IUPAC name of N-(8-benzyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-6-yl)benzenesulfonamide?
The IUPAC name of N-(8-benzyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-6-yl)benzenesulfonamide (CID 11554304) is N-(8-benzyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-6-yl)benzenesulfonamide.
What is the SMILES notation for N-(8-benzyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-6-yl)benzenesulfonamide?
The canonical SMILES for N-(8-benzyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-6-yl)benzenesulfonamide is O=S(=O)(NC1Cc2cc(-c3ccccc3)nnc2N(Cc2ccccc2)C1)c1ccccc1.
What is the InChIKey of N-(8-benzyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-6-yl)benzenesulfonamide?
The InChIKey is YQHWLEFTKNPJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c31-33(32,24-14-8-3-9-15-24)29-23-16-22-17-25(21-12-6-2-7-13-21)27-28-26(22)30(19-23)18-20-10-4-1-5-11-20/h1-15,17,23,29H,16,18-19H2.
What are the key properties of N-(8-benzyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-6-yl)benzenesulfonamide?
N-(8-benzyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-6-yl)benzenesulfonamide has a molecular weight of 456.57 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-benzyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-6-yl)benzenesulfonamide is sourced from PubChem (CID 11554304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).