6-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine

C18H17N3O3S — CID 53073226

IUPAC6-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
SMILESCOc1ccc(CNc2ccc(S(=O)(=O)c3ccccc3)nn2)cc1
InChIInChI=1S/C18H17N3O3S/c1-24-15-9-7-14(8-10-15)13-19-17-11-12-18(21-20-17)25(22,23)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,19,20)
InChIKeyVNWQXWJJPJYPHI-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.93
Rot. Bonds6

About 6-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine

6-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine (PubChem CID 53073226) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
PubChem CID53073226
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name6-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
SMILESCOc1ccc(CNc2ccc(S(=O)(=O)c3ccccc3)nn2)cc1
InChIInChI=1S/C18H17N3O3S/c1-24-15-9-7-14(8-10-15)13-19-17-11-12-18(21-20-17)25(22,23)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,19,20)
InChIKeyVNWQXWJJPJYPHI-UHFFFAOYSA-N
XLogP2.93
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide
CID 113041801
3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine
CID 113041805
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041752
6-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)pyridazin-3-amine
CID 53198931
3-N-(4-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyridazine-3,6-diamine
CID 101161568
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041743
4-methoxy-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041761
N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654
2-(2-fluorophenyl)-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041787
6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine
CID 108774984
[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112649
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113041807

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine?
The IUPAC name of 6-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine (CID 53073226) is 6-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine.
What is the SMILES notation for 6-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine?
The canonical SMILES for 6-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine is COc1ccc(CNc2ccc(S(=O)(=O)c3ccccc3)nn2)cc1.
What is the InChIKey of 6-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine?
The InChIKey is VNWQXWJJPJYPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-24-15-9-7-14(8-10-15)13-19-17-11-12-18(21-20-17)25(22,23)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,19,20).
What are the key properties of 6-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine?
6-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine has a molecular weight of 355.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine is sourced from PubChem (CID 53073226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).