2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide

C23H27N5O3S — CID 30595924

IUPAC2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCN(C)CC3)nn2)c1
InChIInChI=1S/C23H27N5O3S/c1-17-7-9-21(31-3)22(15-17)32(29,30)26-19-6-4-5-18(16-19)20-8-10-23(25-24-20)28-13-11-27(2)12-14-28/h4-10,15-16,26H,11-14H2,1-3H3
InChIKeyMOOAGZRQWXRGFL-UHFFFAOYSA-N
MW453.57 g/mol
LogP3.01
Rot. Bonds6

About 2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide

2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide (PubChem CID 30595924) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
PubChem CID30595924
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC Name2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCN(C)CC3)nn2)c1
InChIInChI=1S/C23H27N5O3S/c1-17-7-9-21(31-3)22(15-17)32(29,30)26-19-6-4-5-18(16-19)20-8-10-23(25-24-20)28-13-11-27(2)12-14-28/h4-10,15-16,26H,11-14H2,1-3H3
InChIKeyMOOAGZRQWXRGFL-UHFFFAOYSA-N
XLogP3.01
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide with MolForge

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Related Compounds

5-chloro-2-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30295138
2-ethoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30596083
4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 22576017
2,5-difluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30595993
3,4-dimethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 16810402
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine
CID 42110751
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
3-methoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 57378375
2-ethoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide
CID 22576020
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-ethoxybenzenesulfonamide
CID 41006161
2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039734
2-methoxy-5-methyl-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122284192

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide (CID 30595924) is 2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCN(C)CC3)nn2)c1.
What is the InChIKey of 2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
The InChIKey is MOOAGZRQWXRGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-17-7-9-21(31-3)22(15-17)32(29,30)26-19-6-4-5-18(16-19)20-8-10-23(25-24-20)28-13-11-27(2)12-14-28/h4-10,15-16,26H,11-14H2,1-3H3.
What are the key properties of 2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide has a molecular weight of 453.57 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 30595924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).