N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,2-oxazole-4-sulfonamide

C17H13N5O4S — CID 122307965

IUPACN-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,2-oxazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1cnoc1
InChIInChI=1S/C17H13N5O4S/c23-27(24,15-11-18-25-12-15)21-13-3-5-14(6-4-13)26-17-8-7-16(19-20-17)22-9-1-2-10-22/h1-12,21H
InChIKeyKSLSRGAFRLWICR-UHFFFAOYSA-N
MW383.39 g/mol
LogP2.85
Rot. Bonds6

About N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,2-oxazole-4-sulfonamide

N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,2-oxazole-4-sulfonamide (PubChem CID 122307965) has the molecular formula C17H13N5O4S and a molecular weight of 383.39 g/mol. Its IUPAC name is N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,2-oxazole-4-sulfonamide
PubChem CID122307965
Molecular FormulaC17H13N5O4S
Molecular Weight383.39 g/mol
Exact Mass383.07
IUPAC NameN-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,2-oxazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1cnoc1
InChIInChI=1S/C17H13N5O4S/c23-27(24,15-11-18-25-12-15)21-13-3-5-14(6-4-13)26-17-8-7-16(19-20-17)22-9-1-2-10-22/h1-12,21H
InChIKeyKSLSRGAFRLWICR-UHFFFAOYSA-N
XLogP2.85
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307746
4-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122308006
4-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307759
3,5-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307934
3,4-dimethyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307745
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 122307777
2-bromo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307979
2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3H-1,3-benzoxazole-5-sulfonamide
CID 122307950
3-methyl-2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzoxazole-5-sulfonamide
CID 122307951
4-fluoro-2-methyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307964
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309298
3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304744

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,2-oxazole-4-sulfonamide (CID 122307965) is N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,2-oxazole-4-sulfonamide is O=S(=O)(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1cnoc1.
What is the InChIKey of N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is KSLSRGAFRLWICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O4S/c23-27(24,15-11-18-25-12-15)21-13-3-5-14(6-4-13)26-17-8-7-16(19-20-17)22-9-1-2-10-22/h1-12,21H.
What are the key properties of N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,2-oxazole-4-sulfonamide?
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 383.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 122307965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).