N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide

C14H18N4O4S — CID 113048906

IUPACN-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(OC)c(OC)c2)nn1
InChIInChI=1S/C14H18N4O4S/c1-4-23(19,20)18-14-8-7-13(16-17-14)15-10-5-6-11(21-2)12(9-10)22-3/h5-9H,4H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyGYCLYBVPCNZVMQ-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.00
Rot. Bonds7

About N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide

N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide (PubChem CID 113048906) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide
PubChem CID113048906
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC NameN-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(OC)c(OC)c2)nn1
InChIInChI=1S/C14H18N4O4S/c1-4-23(19,20)18-14-8-7-13(16-17-14)15-10-5-6-11(21-2)12(9-10)22-3/h5-9H,4H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyGYCLYBVPCNZVMQ-UHFFFAOYSA-N
XLogP2.00
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide
CID 113048905
3-(3,4-dimethoxyanilino)-6-(dimethylsulfamoylamino)pyridazine
CID 113048909
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide
CID 113046386
N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113050598
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]ethanesulfonamide
CID 113050265
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide
CID 113019129
N-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049321
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113051676
6-(3,4-dimethoxyanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126254
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide
CID 112984101
N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113049923
N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113032137

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide?
The IUPAC name of N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide (CID 113048906) is N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Nc2ccc(OC)c(OC)c2)nn1.
What is the InChIKey of N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide?
The InChIKey is GYCLYBVPCNZVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-4-23(19,20)18-14-8-7-13(16-17-14)15-10-5-6-11(21-2)12(9-10)22-3/h5-9H,4H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide?
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide has a molecular weight of 338.39 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide is sourced from PubChem (CID 113048906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).