N-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine

C23H26N4O3S — CID 53104720

IUPACN-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
SMILESCCc1ccc(Nc2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCCC4)c3)nn2)cc1
InChIInChI=1S/C23H26N4O3S/c1-3-17-6-9-19(10-7-17)24-23-13-11-20(25-26-23)18-8-12-21(30-2)22(16-18)31(28,29)27-14-4-5-15-27/h6-13,16H,3-5,14-15H2,1-2H3,(H,24,26)
InChIKeyQREMLQRFBGRZPU-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.24
Rot. Bonds7

About N-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine

N-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine (PubChem CID 53104720) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
PubChem CID53104720
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
SMILESCCc1ccc(Nc2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCCC4)c3)nn2)cc1
InChIInChI=1S/C23H26N4O3S/c1-3-17-6-9-19(10-7-17)24-23-13-11-20(25-26-23)18-8-12-21(30-2)22(16-18)31(28,29)27-14-4-5-15-27/h6-13,16H,3-5,14-15H2,1-2H3,(H,24,26)
InChIKeyQREMLQRFBGRZPU-UHFFFAOYSA-N
XLogP4.24
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53104534
N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751739
1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 6457843
4-[[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]amino]benzonitrile
CID 53104600
N-[(4-chlorophenyl)methyl]-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53104537
2-(3,4-dimethoxyphenyl)-5-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
CID 53098024
N-(2,5-difluorophenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53010149
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
N-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751774
N-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 53054071
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-ethylphenyl)acetamide
CID 92647686
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine?
The IUPAC name of N-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine (CID 53104720) is N-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine.
What is the SMILES notation for N-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine?
The canonical SMILES for N-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine is CCc1ccc(Nc2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCCC4)c3)nn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine?
The InChIKey is QREMLQRFBGRZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-3-17-6-9-19(10-7-17)24-23-13-11-20(25-26-23)18-8-12-21(30-2)22(16-18)31(28,29)27-14-4-5-15-27/h6-13,16H,3-5,14-15H2,1-2H3,(H,24,26).
What are the key properties of N-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine?
N-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine has a molecular weight of 438.55 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine is sourced from PubChem (CID 53104720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).