2-ethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-propan-2-ylbenzenesulfonamide

C26H33N5O3S — CID 41349111

IUPAC2-ethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-propan-2-ylbenzenesulfonamide
SMILESCCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCN(C)CC3)nn2)cc1
InChIInChI=1S/C26H33N5O3S/c1-5-34-24-12-8-21(19(2)3)18-25(24)35(32,33)29-22-9-6-20(7-10-22)23-11-13-26(28-27-23)31-16-14-30(4)15-17-31/h6-13,18-19,29H,5,14-17H2,1-4H3
InChIKeyWAHIUFMOZUQJCA-UHFFFAOYSA-N
MW495.65 g/mol
LogP4.22
Rot. Bonds8

About 2-ethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-propan-2-ylbenzenesulfonamide

2-ethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-propan-2-ylbenzenesulfonamide (PubChem CID 41349111) has the molecular formula C26H33N5O3S and a molecular weight of 495.65 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-propan-2-ylbenzenesulfonamide
PubChem CID41349111
Molecular FormulaC26H33N5O3S
Molecular Weight495.65 g/mol
Exact Mass495.23
IUPAC Name2-ethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-propan-2-ylbenzenesulfonamide
SMILESCCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCN(C)CC3)nn2)cc1
InChIInChI=1S/C26H33N5O3S/c1-5-34-24-12-8-21(19(2)3)18-25(24)35(32,33)29-22-9-6-20(7-10-22)23-11-13-26(28-27-23)31-16-14-30(4)15-17-31/h6-13,18-19,29H,5,14-17H2,1-4H3
InChIKeyWAHIUFMOZUQJCA-UHFFFAOYSA-N
XLogP4.22
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide
CID 22576020
2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide
CID 41349122
2-ethoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30596083
3,4-dimethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 16810402
N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 30596210
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-ethoxybenzenesulfonamide
CID 41006161
2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30595924
5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973
5-chloro-2-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30295138
2,4-dimethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 26843026
N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 41006216
2-(3-ethoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43992945

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-ethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-propan-2-ylbenzenesulfonamide (CID 41349111) is 2-ethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-ethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-propan-2-ylbenzenesulfonamide is CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCN(C)CC3)nn2)cc1.
What is the InChIKey of 2-ethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-propan-2-ylbenzenesulfonamide?
The InChIKey is WAHIUFMOZUQJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3S/c1-5-34-24-12-8-21(19(2)3)18-25(24)35(32,33)29-22-9-6-20(7-10-22)23-11-13-26(28-27-23)31-16-14-30(4)15-17-31/h6-13,18-19,29H,5,14-17H2,1-4H3.
What are the key properties of 2-ethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-propan-2-ylbenzenesulfonamide?
2-ethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-propan-2-ylbenzenesulfonamide has a molecular weight of 495.65 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 41349111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).