N-[4-(6-methoxypyridazin-3-yl)phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide

C19H16N4O3S2 — CID 7553647

IUPACN-[4-(6-methoxypyridazin-3-yl)phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide
SMILESCOc1ccc(-c2ccc(NS(=O)(=O)c3ccc4nc(C)sc4c3)cc2)nn1
InChIInChI=1S/C19H16N4O3S2/c1-12-20-17-8-7-15(11-18(17)27-12)28(24,25)23-14-5-3-13(4-6-14)16-9-10-19(26-2)22-21-16/h3-11,23H,1-2H3
InChIKeyPPIOPJNOHRGNLH-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.87
Rot. Bonds5

About N-[4-(6-methoxypyridazin-3-yl)phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide

N-[4-(6-methoxypyridazin-3-yl)phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide (PubChem CID 7553647) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[4-(6-methoxypyridazin-3-yl)phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound NameN-[4-(6-methoxypyridazin-3-yl)phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide
PubChem CID7553647
Molecular FormulaC19H16N4O3S2
Molecular Weight412.50 g/mol
Exact Mass412.07
IUPAC NameN-[4-(6-methoxypyridazin-3-yl)phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide
SMILESCOc1ccc(-c2ccc(NS(=O)(=O)c3ccc4nc(C)sc4c3)cc2)nn1
InChIInChI=1S/C19H16N4O3S2/c1-12-20-17-8-7-15(11-18(17)27-12)28(24,25)23-14-5-3-13(4-6-14)16-9-10-19(26-2)22-21-16/h3-11,23H,1-2H3
InChIKeyPPIOPJNOHRGNLH-UHFFFAOYSA-N
XLogP3.87
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1,3-benzothiazole-6-sulfonamide
CID 41246315
3-bromo-4-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 4816108
N-[4-(6-methoxypyridazin-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 7553622
N-(2-methyl-1,3-benzothiazol-6-yl)-4-methylsulfonylbenzenesulfonamide
CID 46534623
3,4-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 2821932
2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide
CID 91679872
N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-sulfonamide
CID 58839440
2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 7553626
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 2118309
4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 8523124
N-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide
CID 59018198
2-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,3-benzothiazole-6-sulfonamide
CID 27478661

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxypyridazin-3-yl)phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of N-[4-(6-methoxypyridazin-3-yl)phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide (CID 7553647) is N-[4-(6-methoxypyridazin-3-yl)phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for N-[4-(6-methoxypyridazin-3-yl)phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for N-[4-(6-methoxypyridazin-3-yl)phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide is COc1ccc(-c2ccc(NS(=O)(=O)c3ccc4nc(C)sc4c3)cc2)nn1.
What is the InChIKey of N-[4-(6-methoxypyridazin-3-yl)phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide?
The InChIKey is PPIOPJNOHRGNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S2/c1-12-20-17-8-7-15(11-18(17)27-12)28(24,25)23-14-5-3-13(4-6-14)16-9-10-19(26-2)22-21-16/h3-11,23H,1-2H3.
What are the key properties of N-[4-(6-methoxypyridazin-3-yl)phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide?
N-[4-(6-methoxypyridazin-3-yl)phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide has a molecular weight of 412.50 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxypyridazin-3-yl)phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 7553647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).