3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide

C14H17N3O4S — CID 110737991

IUPAC3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C)nn2)cc1OC
InChIInChI=1S/C14H17N3O4S/c1-10-4-5-11(17-16-10)9-15-22(18,19)12-6-7-13(20-2)14(8-12)21-3/h4-8,15H,9H2,1-3H3
InChIKeyZUWYUQXODXSLBQ-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.28
Rot. Bonds6

About 3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide

3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide (PubChem CID 110737991) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
PubChem CID110737991
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C)nn2)cc1OC
InChIInChI=1S/C14H17N3O4S/c1-10-4-5-11(17-16-10)9-15-22(18,19)12-6-7-13(20-2)14(8-12)21-3/h4-8,15H,9H2,1-3H3
InChIKeyZUWYUQXODXSLBQ-UHFFFAOYSA-N
XLogP1.28
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737987
3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738003
4-bromo-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737976
N-[(6-methylpyridazin-3-yl)methyl]-3-nitrobenzenesulfonamide
CID 110738037
4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738040
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 91967732
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 47959232
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 22209374
N-[(6-methylpyridazin-3-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110738013
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 46556031
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 9191426
3,4-dimethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033855

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide (CID 110737991) is 3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(C)nn2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
The InChIKey is ZUWYUQXODXSLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-10-4-5-11(17-16-10)9-15-22(18,19)12-6-7-13(20-2)14(8-12)21-3/h4-8,15H,9H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide has a molecular weight of 323.37 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110737991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).