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

C23H27N5O3S — CID 30596083

IUPAC2-ethoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCN(C)CC3)nn2)c1
InChIInChI=1S/C23H27N5O3S/c1-3-31-21-9-4-5-10-22(21)32(29,30)26-19-8-6-7-18(17-19)20-11-12-23(25-24-20)28-15-13-27(2)14-16-28/h4-12,17,26H,3,13-16H2,1-2H3
InChIKeyOYDYSEUBHAQNMD-UHFFFAOYSA-N
MW453.57 g/mol
LogP3.09
Rot. Bonds7

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

2-ethoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide (PubChem CID 30596083) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is 2-ethoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
PubChem CID30596083
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC Name2-ethoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCN(C)CC3)nn2)c1
InChIInChI=1S/C23H27N5O3S/c1-3-31-21-9-4-5-10-22(21)32(29,30)26-19-8-6-7-18(17-19)20-11-12-23(25-24-20)28-15-13-27(2)14-16-28/h4-12,17,26H,3,13-16H2,1-2H3
InChIKeyOYDYSEUBHAQNMD-UHFFFAOYSA-N
XLogP3.09
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-ethoxybenzenesulfonamide
CID 41006161
2-ethoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide
CID 22576020
2,5-difluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30595993
2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30595924
5-chloro-2-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30295138
2-ethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-propan-2-ylbenzenesulfonamide
CID 41349111
4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 22576017
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide
CID 29043555
2-ethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422477
N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide
CID 7593151
(2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide
CID 7593177
2,5-dichloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41006096

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
The IUPAC name of 2-ethoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide (CID 30596083) is 2-ethoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-ethoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide is CCOc1ccccc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCN(C)CC3)nn2)c1.
What is the InChIKey of 2-ethoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
The InChIKey is OYDYSEUBHAQNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-3-31-21-9-4-5-10-22(21)32(29,30)26-19-8-6-7-18(17-19)20-11-12-23(25-24-20)28-15-13-27(2)14-16-28/h4-12,17,26H,3,13-16H2,1-2H3.
What are the key properties of 2-ethoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
2-ethoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide has a molecular weight of 453.57 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 30596083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).