3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]propane-1-sulfonamide

C10H17ClN4O4S — CID 114436529

IUPAC3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]propane-1-sulfonamide
SMILESCOCCn1ncc(NCCCS(N)(=O)=O)c(Cl)c1=O
InChIInChI=1S/C10H17ClN4O4S/c1-19-5-4-15-10(16)9(11)8(7-14-15)13-3-2-6-20(12,17)18/h7,13H,2-6H2,1H3,(H2,12,17,18)
InChIKeyGHMKEJJJOMUHFD-UHFFFAOYSA-N
MW324.79 g/mol
LogP-0.37
Rot. Bonds8

About 3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]propane-1-sulfonamide

3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]propane-1-sulfonamide (PubChem CID 114436529) has the molecular formula C10H17ClN4O4S and a molecular weight of 324.79 g/mol. Its IUPAC name is 3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]propane-1-sulfonamide
PubChem CID114436529
Molecular FormulaC10H17ClN4O4S
Molecular Weight324.79 g/mol
Exact Mass324.07
IUPAC Name3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]propane-1-sulfonamide
SMILESCOCCn1ncc(NCCCS(N)(=O)=O)c(Cl)c1=O
InChIInChI=1S/C10H17ClN4O4S/c1-19-5-4-15-10(16)9(11)8(7-14-15)13-3-2-6-20(12,17)18/h7,13H,2-6H2,1H3,(H2,12,17,18)
InChIKeyGHMKEJJJOMUHFD-UHFFFAOYSA-N
XLogP-0.37
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one
CID 115579123
4-chloro-2-(2-methoxyethyl)-5-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazin-3-one
CID 115681445
4-chloro-5-[2-(dimethylamino)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115573762
4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 113236537
4-chloro-5-[2-[ethyl(methyl)amino]ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115898938
4-chloro-5-[(2-hydroxy-2-methylpropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 113234186
4-chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 103081526
4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one
CID 104696007
4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one
CID 115744819
4-chloro-2-(2-methoxyethyl)-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazin-3-one
CID 114434254
4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 103844265
4-chloro-5-(5-methoxypentylamino)-2-methylpyridazin-3-one
CID 113228424

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]propane-1-sulfonamide?
The IUPAC name of 3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]propane-1-sulfonamide (CID 114436529) is 3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]propane-1-sulfonamide?
The canonical SMILES for 3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]propane-1-sulfonamide is COCCn1ncc(NCCCS(N)(=O)=O)c(Cl)c1=O.
What is the InChIKey of 3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]propane-1-sulfonamide?
The InChIKey is GHMKEJJJOMUHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O4S/c1-19-5-4-15-10(16)9(11)8(7-14-15)13-3-2-6-20(12,17)18/h7,13H,2-6H2,1H3,(H2,12,17,18).
What are the key properties of 3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]propane-1-sulfonamide?
3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]propane-1-sulfonamide has a molecular weight of 324.79 g/mol, XLogP of -0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]propane-1-sulfonamide is sourced from PubChem (CID 114436529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).