N-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide

C15H20N4O3S — CID 113048434

IUPACN-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccccc2OCC)nn1
InChIInChI=1S/C15H20N4O3S/c1-3-11-23(20,21)19-15-10-9-14(17-18-15)16-12-7-5-6-8-13(12)22-4-2/h5-10H,3-4,11H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBWZPPNUBLXNUII-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.77
Rot. Bonds8

About N-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide

N-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide (PubChem CID 113048434) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
PubChem CID113048434
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccccc2OCC)nn1
InChIInChI=1S/C15H20N4O3S/c1-3-11-23(20,21)19-15-10-9-14(17-18-15)16-12-7-5-6-8-13(12)22-4-2/h5-10H,3-4,11H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBWZPPNUBLXNUII-UHFFFAOYSA-N
XLogP2.77
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)propane-1-sulfonamide
CID 60641405
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113048664
N-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113047101
N-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide
CID 113034304
6-(2-ethoxyanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124452
N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide
CID 113019644
N-[2-(2-aminoethoxy)phenyl]propane-1-sulfonamide
CID 43175615
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113046314
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113050804
N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113050598
6-(2-ethoxyanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127101
6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114381

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide (CID 113048434) is N-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2ccccc2OCC)nn1.
What is the InChIKey of N-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide?
The InChIKey is BWZPPNUBLXNUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-3-11-23(20,21)19-15-10-9-14(17-18-15)16-12-7-5-6-8-13(12)22-4-2/h5-10H,3-4,11H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of N-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide?
N-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide has a molecular weight of 336.42 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 113048434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).