6-(3,4-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine

C22H24N4O4S — CID 649546

IUPAC6-(3,4-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
SMILESCOc1ccc(-c2ccc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)nn2)cc1OC
InChIInChI=1S/C22H24N4O4S/c1-29-20-11-5-16(15-21(20)30-2)19-10-12-22(25-24-19)23-17-6-8-18(9-7-17)31(27,28)26-13-3-4-14-26/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyPJWWNLGVUDWUGA-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.69
Rot. Bonds7

About 6-(3,4-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine

6-(3,4-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine (PubChem CID 649546) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
PubChem CID649546
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name6-(3,4-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
SMILESCOc1ccc(-c2ccc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)nn2)cc1OC
InChIInChI=1S/C22H24N4O4S/c1-29-20-11-5-16(15-21(20)30-2)19-10-12-22(25-24-19)23-17-6-8-18(9-7-17)31(27,28)26-13-3-4-14-26/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyPJWWNLGVUDWUGA-UHFFFAOYSA-N
XLogP3.69
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-{[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539619
4-{[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539629
(2-Cyclohex-1-enyl-ethyl)-[6-(3,4-dimethoxy-phenyl)-pyridazin-3-yl]-amine
CID 655276
4-[6-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pyridazin-3-ylamino]-N,N-dimethyl-benzenesulfonamide
CID 6411215
4-[6-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pyridazin-3-ylamino]-N,N-diethyl-benzenesulfonamide
CID 6411216
[6-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pyridazin-3-yl]-[4-(pyrrolidine-1-sulfonyl)-phenyl]-amine
CID 6411217
5-(3,4-Dimethoxyphenyl)-2-(4-fluorophenyl)sulfonyl-3-pyrazolamine
CID 9551529
3,4-dimethoxy-N-(3-(6-(4-methylpiperidin-1-yl)pyridazin-3-yl)phenyl)benzenesulfonamide
CID 16029035
N-{3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl}-3,4-dimethoxybenzene-1-sulfonamide
CID 16029074
4-[[4-[(4-Methoxyphenyl)methyl]phthalazin-1-yl]amino]benzenesulfonamide
CID 127032238
4-[[4-(3-Methoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide
CID 71607884
3-fluoro-4-methoxy-N-(4-(6-(pyrrolidin-1-yl)pyridazin-3-yl)phenyl)benzenesulfonamide
CID 16029181

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine (CID 649546) is 6-(3,4-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine is COc1ccc(-c2ccc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)nn2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine?
The InChIKey is PJWWNLGVUDWUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-29-20-11-5-16(15-21(20)30-2)19-10-12-22(25-24-19)23-17-6-8-18(9-7-17)31(27,28)26-13-3-4-14-26/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,25).
What are the key properties of 6-(3,4-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine?
6-(3,4-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine has a molecular weight of 440.53 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine is sourced from PubChem (CID 649546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).