4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide

C18H17N3O3S — CID 70703505

IUPAC4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1
InChIInChI=1S/C18H17N3O3S/c1-13-3-10-17(11-4-13)25(22,23)21-15-6-8-16(9-7-15)24-18-12-5-14(2)19-20-18/h3-12,21H,1-2H3
InChIKeyGBQOJPIKRLBEMK-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.69
Rot. Bonds5

About 4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide

4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide (PubChem CID 70703505) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
PubChem CID70703505
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1
InChIInChI=1S/C18H17N3O3S/c1-13-3-10-17(11-4-13)25(22,23)21-15-6-8-16(9-7-15)24-18-12-5-14(2)19-20-18/h3-12,21H,1-2H3
InChIKeyGBQOJPIKRLBEMK-UHFFFAOYSA-N
XLogP3.69
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122306608
4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide
CID 169370934
N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 1377807
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307746
4-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307759
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-difluorobenzenesulfonamide
CID 122305668
4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 84581619
4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305101
3,4-dimethyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307745
4-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122308006

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide (CID 70703505) is 4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
The InChIKey is GBQOJPIKRLBEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-13-3-10-17(11-4-13)25(22,23)21-15-6-8-16(9-7-15)24-18-12-5-14(2)19-20-18/h3-12,21H,1-2H3.
What are the key properties of 4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 70703505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).