2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide

C20H15Cl2N5O3S — CID 122306618

IUPAC2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
SMILESCc1nccn1-c1ccc(Oc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)nn1
InChIInChI=1S/C20H15Cl2N5O3S/c1-13-23-10-11-27(13)19-8-9-20(25-24-19)30-16-5-3-15(4-6-16)26-31(28,29)18-12-14(21)2-7-17(18)22/h2-12,26H,1H3
InChIKeyUKMACLKPGNQHOV-UHFFFAOYSA-N
MW476.35 g/mol
LogP4.87
Rot. Bonds6

About 2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide

2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide (PubChem CID 122306618) has the molecular formula C20H15Cl2N5O3S and a molecular weight of 476.35 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
PubChem CID122306618
Molecular FormulaC20H15Cl2N5O3S
Molecular Weight476.35 g/mol
Exact Mass475.03
IUPAC Name2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
SMILESCc1nccn1-c1ccc(Oc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)nn1
InChIInChI=1S/C20H15Cl2N5O3S/c1-13-23-10-11-27(13)19-8-9-20(25-24-19)30-16-5-3-15(4-6-16)26-31(28,29)18-12-14(21)2-7-17(18)22/h2-12,26H,1H3
InChIKeyUKMACLKPGNQHOV-UHFFFAOYSA-N
XLogP4.87
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.35
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122306609
4-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122306608
5-chloro-2-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312878
2-chloro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312728
5-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-methoxybenzenesulfonamide
CID 122307201
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122306812
2,5-dichloro-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309310
5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306552
2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306527
2,4,5-trimethyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312715
1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122306583
2-fluoro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312348

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide (CID 122306618) is 2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide is Cc1nccn1-c1ccc(Oc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)nn1.
What is the InChIKey of 2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
The InChIKey is UKMACLKPGNQHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O3S/c1-13-23-10-11-27(13)19-8-9-20(25-24-19)30-16-5-3-15(4-6-16)26-31(28,29)18-12-14(21)2-7-17(18)22/h2-12,26H,1H3.
What are the key properties of 2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide?
2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide has a molecular weight of 476.35 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 122306618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).