5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide

C14H12ClN3O4S2 — CID 41246917

IUPAC5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2ccco2)nn1)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClN3O4S2/c15-12-4-6-14(23-12)24(19,20)16-7-9-22-13-5-3-10(17-18-13)11-2-1-8-21-11/h1-6,8,16H,7,9H2
InChIKeyDOUAFBMGLUWUQN-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.81
Rot. Bonds7

About 5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide

5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide (PubChem CID 41246917) has the molecular formula C14H12ClN3O4S2 and a molecular weight of 385.85 g/mol. Its IUPAC name is 5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide
PubChem CID41246917
Molecular FormulaC14H12ClN3O4S2
Molecular Weight385.85 g/mol
Exact Mass385.00
IUPAC Name5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2ccco2)nn1)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClN3O4S2/c15-12-4-6-14(23-12)24(19,20)16-7-9-22-13-5-3-10(17-18-13)11-2-1-8-21-11/h1-6,8,16H,7,9H2
InChIKeyDOUAFBMGLUWUQN-UHFFFAOYSA-N
XLogP2.81
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide
CID 18588400
4-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246889
5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide
CID 41247027
3-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246920
2-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246880
2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246883
N-[4-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethylsulfamoyl]phenyl]acetamide
CID 41246898
N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 41246930
N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 18588399
5-bromo-2-ethoxy-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246894
5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide
CID 4916594
5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
CID 90523835

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide (CID 41246917) is 5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide is O=S(=O)(NCCOc1ccc(-c2ccco2)nn1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide?
The InChIKey is DOUAFBMGLUWUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O4S2/c15-12-4-6-14(23-12)24(19,20)16-7-9-22-13-5-3-10(17-18-13)11-2-1-8-21-11/h1-6,8,16H,7,9H2.
What are the key properties of 5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide has a molecular weight of 385.85 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 41246917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).