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

C17H12ClN5O3S2 — CID 122306400

IUPAC5-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C17H12ClN5O3S2/c18-14-5-8-17(27-14)28(24,25)22-12-1-3-13(4-2-12)26-16-7-6-15(20-21-16)23-10-9-19-11-23/h1-11,22H
InChIKeyULQOZXCXKSCLJD-UHFFFAOYSA-N
MW433.90 g/mol
LogP3.97
Rot. Bonds6

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

5-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide (PubChem CID 122306400) has the molecular formula C17H12ClN5O3S2 and a molecular weight of 433.90 g/mol. Its IUPAC name is 5-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide
PubChem CID122306400
Molecular FormulaC17H12ClN5O3S2
Molecular Weight433.90 g/mol
Exact Mass433.01
IUPAC Name5-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C17H12ClN5O3S2/c18-14-5-8-17(27-14)28(24,25)22-12-1-3-13(4-2-12)26-16-7-6-15(20-21-16)23-10-9-19-11-23/h1-11,22H
InChIKeyULQOZXCXKSCLJD-UHFFFAOYSA-N
XLogP3.97
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide
CID 122306403
2,4-diethoxy-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122306490
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 122306446
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide
CID 122306263
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-4-methyl-3,5-dinitrobenzenesulfonamide
CID 122306496
5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide
CID 122309092
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122306438
1-(2,5-difluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide
CID 122306425
1-(3-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide
CID 122306416
1-(2-chlorophenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306214
2-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307979
N-[[5-[[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122312172

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide (CID 122306400) is 5-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide?
The InChIKey is ULQOZXCXKSCLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O3S2/c18-14-5-8-17(27-14)28(24,25)22-12-1-3-13(4-2-12)26-16-7-6-15(20-21-16)23-10-9-19-11-23/h1-11,22H.
What are the key properties of 5-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide has a molecular weight of 433.90 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 122306400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).