N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide

C26H25N3O3S — CID 43985818

IUPACN-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide
SMILESCC(C)COc1ccc(-c2cccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c2)nn1
InChIInChI=1S/C26H25N3O3S/c1-19(2)18-32-26-16-15-25(27-28-26)22-9-6-10-23(17-22)29-33(30,31)24-13-11-21(12-14-24)20-7-4-3-5-8-20/h3-17,19,29H,18H2,1-2H3
InChIKeyOWGRVKQEQQHDSP-UHFFFAOYSA-N
MW459.57 g/mol
LogP5.65
Rot. Bonds8

About N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide

N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide (PubChem CID 43985818) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide
PubChem CID43985818
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC NameN-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide
SMILESCC(C)COc1ccc(-c2cccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c2)nn1
InChIInChI=1S/C26H25N3O3S/c1-19(2)18-32-26-16-15-25(27-28-26)22-9-6-10-23(17-22)29-33(30,31)24-13-11-21(12-14-24)20-7-4-3-5-8-20/h3-17,19,29H,18H2,1-2H3
InChIKeyOWGRVKQEQQHDSP-UHFFFAOYSA-N
XLogP5.65
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 43985825
4-methyl-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-3,5-dinitrobenzenesulfonamide
CID 43985816
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide
CID 41159266
2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 43985827
N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]pyridine-3-sulfonamide
CID 7519314
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methyl-3,5-dinitrobenzenesulfonamide
CID 18575938
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide
CID 29043555
N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]thiophene-2-sulfonamide
CID 7524038
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide
CID 18569028
2,3-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 41349130
N-[3-(6-propoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 7524020
N-[3-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 7553601

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide (CID 43985818) is N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide is CC(C)COc1ccc(-c2cccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c2)nn1.
What is the InChIKey of N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide?
The InChIKey is OWGRVKQEQQHDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-19(2)18-32-26-16-15-25(27-28-26)22-9-6-10-23(17-22)29-33(30,31)24-13-11-21(12-14-24)20-7-4-3-5-8-20/h3-17,19,29H,18H2,1-2H3.
What are the key properties of N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide?
N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide has a molecular weight of 459.57 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 43985818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).