N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide

C23H19N3O5S2 — CID 18569028

IUPACN-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)c2)nn1
InChIInChI=1S/C23H19N3O5S2/c1-32(27,28)23-15-14-22(24-25-23)17-6-5-7-18(16-17)26-33(29,30)21-12-10-20(11-13-21)31-19-8-3-2-4-9-19/h2-16,26H,1H3
InChIKeyVIXOYDSINYNBGV-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.14
Rot. Bonds7

About N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide

N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide (PubChem CID 18569028) has the molecular formula C23H19N3O5S2 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide
PubChem CID18569028
Molecular FormulaC23H19N3O5S2
Molecular Weight481.56 g/mol
Exact Mass481.08
IUPAC NameN-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)c2)nn1
InChIInChI=1S/C23H19N3O5S2/c1-32(27,28)23-15-14-22(24-25-23)17-6-5-7-18(16-17)26-33(29,30)21-12-10-20(11-13-21)31-19-8-3-2-4-9-19/h2-16,26H,1H3
InChIKeyVIXOYDSINYNBGV-UHFFFAOYSA-N
XLogP4.14
TPSA115.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 18569043
4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569024
3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569022
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide
CID 41159266
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide
CID 26842222
3-chloro-4-fluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569044
N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-phenoxybenzenesulfonamide
CID 16873522
4-methoxy-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41159305
N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide
CID 43985818
4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
CID 169370090
4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 8523305
3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid
CID 44669190

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide?
The IUPAC name of N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide (CID 18569028) is N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide is CS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)c2)nn1.
What is the InChIKey of N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide?
The InChIKey is VIXOYDSINYNBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5S2/c1-32(27,28)23-15-14-22(24-25-23)17-6-5-7-18(16-17)26-33(29,30)21-12-10-20(11-13-21)31-19-8-3-2-4-9-19/h2-16,26H,1H3.
What are the key properties of N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide?
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide has a molecular weight of 481.56 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 18569028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).