N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide

C17H19N5O3S — CID 122306263

IUPACN-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C17H19N5O3S/c1-2-3-12-26(23,24)21-14-4-6-15(7-5-14)25-17-9-8-16(19-20-17)22-11-10-18-13-22/h4-11,13,21H,2-3,12H2,1H3
InChIKeyNVLBPOGRSALDQB-UHFFFAOYSA-N
MW373.44 g/mol
LogP3.00
Rot. Bonds8

About N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide

N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide (PubChem CID 122306263) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide
PubChem CID122306263
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C17H19N5O3S/c1-2-3-12-26(23,24)21-14-4-6-15(7-5-14)25-17-9-8-16(19-20-17)22-11-10-18-13-22/h4-11,13,21H,2-3,12H2,1H3
InChIKeyNVLBPOGRSALDQB-UHFFFAOYSA-N
XLogP3.00
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]butane-1-sulfonamide
CID 122313112
5-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide
CID 122306403
N-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide
CID 90608258
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
2,4-diethoxy-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122306490
1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306208
5-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide
CID 122306400
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 122306446
2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide
CID 122306127
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide?
The IUPAC name of N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide (CID 122306263) is N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide?
The canonical SMILES for N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1.
What is the InChIKey of N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide?
The InChIKey is NVLBPOGRSALDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-2-3-12-26(23,24)21-14-4-6-15(7-5-14)25-17-9-8-16(19-20-17)22-11-10-18-13-22/h4-11,13,21H,2-3,12H2,1H3.
What are the key properties of N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide?
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide has a molecular weight of 373.44 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide is sourced from PubChem (CID 122306263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).