5-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide

C19H17N5O3S2 — CID 122306403

IUPAC5-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(-n4ccnc4)nn3)cc2)s1
InChIInChI=1S/C19H17N5O3S2/c1-2-16-7-10-19(28-16)29(25,26)23-14-3-5-15(6-4-14)27-18-9-8-17(21-22-18)24-12-11-20-13-24/h3-13,23H,2H2,1H3
InChIKeyMIKQJAFQLSQACE-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.88
Rot. Bonds7

About 5-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide

5-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide (PubChem CID 122306403) has the molecular formula C19H17N5O3S2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 5-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide
PubChem CID122306403
Molecular FormulaC19H17N5O3S2
Molecular Weight427.51 g/mol
Exact Mass427.08
IUPAC Name5-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(-n4ccnc4)nn3)cc2)s1
InChIInChI=1S/C19H17N5O3S2/c1-2-16-7-10-19(28-16)29(25,26)23-14-3-5-15(6-4-14)27-18-9-8-17(21-22-18)24-12-11-20-13-24/h3-13,23H,2H2,1H3
InChIKeyMIKQJAFQLSQACE-UHFFFAOYSA-N
XLogP3.88
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide
CID 122306400
2,4-diethoxy-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122306490
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide
CID 122306263
N-[[5-[[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122312172
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 122306446
N-[[5-[[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122304945
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-4-methyl-3,5-dinitrobenzenesulfonamide
CID 122306496
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122306438
1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306208
2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide
CID 122306127
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
1-(3-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide
CID 122306416

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide (CID 122306403) is 5-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(-n4ccnc4)nn3)cc2)s1.
What is the InChIKey of 5-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide?
The InChIKey is MIKQJAFQLSQACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S2/c1-2-16-7-10-19(28-16)29(25,26)23-14-3-5-15(6-4-14)27-18-9-8-17(21-22-18)24-12-11-20-13-24/h3-13,23H,2H2,1H3.
What are the key properties of 5-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide?
5-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide has a molecular weight of 427.51 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 122306403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).