2,4-dimethoxy-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzenesulfonamide

C17H22N4O5S — CID 113039856

IUPAC2,4-dimethoxy-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCC3CCCO3)nn2)c(OC)c1
InChIInChI=1S/C17H22N4O5S/c1-24-12-5-6-15(14(10-12)25-2)27(22,23)21-17-8-7-16(19-20-17)18-11-13-4-3-9-26-13/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMUHLHGNOSSWLFH-UHFFFAOYSA-N
MW394.45 g/mol
LogP1.89
Rot. Bonds8

About 2,4-dimethoxy-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzenesulfonamide

2,4-dimethoxy-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113039856) has the molecular formula C17H22N4O5S and a molecular weight of 394.45 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113039856
Molecular FormulaC17H22N4O5S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC Name2,4-dimethoxy-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCC3CCCO3)nn2)c(OC)c1
InChIInChI=1S/C17H22N4O5S/c1-24-12-5-6-15(14(10-12)25-2)27(22,23)21-17-8-7-16(19-20-17)18-11-13-4-3-9-26-13/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMUHLHGNOSSWLFH-UHFFFAOYSA-N
XLogP1.89
TPSA111.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2,4-dimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981250
2,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682484
2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991374
2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039736
2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912522
2-N-(2,4-dimethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886782
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8843784
N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109113900
N-[5-(cyclopropylamino)-2-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113023785
2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 95075806
2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 46418634
5-methoxy-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 78954558

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzenesulfonamide (CID 113039856) is 2,4-dimethoxy-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(NCC3CCCO3)nn2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is MUHLHGNOSSWLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5S/c1-24-12-5-6-15(14(10-12)25-2)27(22,23)21-17-8-7-16(19-20-17)18-11-13-4-3-9-26-13/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2,4-dimethoxy-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzenesulfonamide?
2,4-dimethoxy-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 394.45 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113039856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).