N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide

C23H22N4O5S — CID 53080810

IUPACN-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C23H22N4O5S/c1-15-23(16(2)32-26-15)27-22(28)12-10-19(25-27)18-9-11-20(31-3)21(13-18)33(29,30)24-14-17-7-5-4-6-8-17/h4-13,24H,14H2,1-3H3
InChIKeyZWXDCNDMNDWJCF-UHFFFAOYSA-N
MW466.52 g/mol
LogP2.99
Rot. Bonds7

About N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide

N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide (PubChem CID 53080810) has the molecular formula C23H22N4O5S and a molecular weight of 466.52 g/mol. Its IUPAC name is N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide
PubChem CID53080810
Molecular FormulaC23H22N4O5S
Molecular Weight466.52 g/mol
Exact Mass466.13
IUPAC NameN-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C23H22N4O5S/c1-15-23(16(2)32-26-15)27-22(28)12-10-19(25-27)18-9-11-20(31-3)21(13-18)33(29,30)24-14-17-7-5-4-6-8-17/h4-13,24H,14H2,1-3H3
InChIKeyZWXDCNDMNDWJCF-UHFFFAOYSA-N
XLogP2.99
TPSA116.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 53080787
N-[2-(dimethylamino)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide
CID 83273930
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53054209
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-(2-fluorophenyl)-2-methylbenzenesulfonamide
CID 53080667
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 20936139
N-butyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N,2-dimethylbenzenesulfonamide
CID 83273980
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
N-benzyl-5-iodo-2-methoxybenzenesulfonamide
CID 1325962
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 20936573
N-[[4-(2-methoxyphenyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 53322135
2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825990

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide (CID 53080810) is N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide is COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide?
The InChIKey is ZWXDCNDMNDWJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5S/c1-15-23(16(2)32-26-15)27-22(28)12-10-19(25-27)18-9-11-20(31-3)21(13-18)33(29,30)24-14-17-7-5-4-6-8-17/h4-13,24H,14H2,1-3H3.
What are the key properties of N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide?
N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide has a molecular weight of 466.52 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 53080810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).