4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide

C16H20N4O3S — CID 113038808

IUPAC4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C16H20N4O3S/c1-2-23-13-5-7-14(8-6-13)24(21,22)19-15-9-10-16(18-17-15)20-11-3-4-12-20/h5-10H,2-4,11-12H2,1H3,(H,17,19)
InChIKeyRDSCYYXGQQUIOG-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.28
Rot. Bonds6

About 4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide

4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide (PubChem CID 113038808) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide
PubChem CID113038808
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C16H20N4O3S/c1-2-23-13-5-7-14(8-6-13)24(21,22)19-15-9-10-16(18-17-15)20-11-3-4-12-20/h5-10H,2-4,11-12H2,1H3,(H,17,19)
InChIKeyRDSCYYXGQQUIOG-UHFFFAOYSA-N
XLogP2.28
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopentyloxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113038800
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113038166
N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113039174
N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide
CID 113045402
N-(6-pyrrolidin-1-ylpyridazin-3-yl)propane-1-sulfonamide
CID 113038761
4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044745
3-(dimethylsulfamoylamino)-6-piperidin-1-ylpyridazine
CID 113039016
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113046481
2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113039038
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113040198
N-(6-piperidin-1-ylpyridazin-3-yl)butane-1-sulfonamide
CID 113039015
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113039262

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide (CID 113038808) is 4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)nn2)cc1.
What is the InChIKey of 4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide?
The InChIKey is RDSCYYXGQQUIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-2-23-13-5-7-14(8-6-13)24(21,22)19-15-9-10-16(18-17-15)20-11-3-4-12-20/h5-10H,2-4,11-12H2,1H3,(H,17,19).
What are the key properties of 4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide?
4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide has a molecular weight of 348.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 113038808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).