5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

C18H10Cl2FN5O3S2 — CID 71717495

IUPAC5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2ccnnc2)cc1F
InChIInChI=1S/C18H10Cl2FN5O3S2/c19-11-1-2-15(12(5-11)10-3-4-22-23-8-10)29-16-7-14(21)17(6-13(16)20)31(27,28)26-18-25-24-9-30-18/h1-9H,(H,25,26)
InChIKeyZRAZBXGLOFAXPF-UHFFFAOYSA-N
MW498.35 g/mol
LogP5.03
Rot. Bonds6

About 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 71717495) has the molecular formula C18H10Cl2FN5O3S2 and a molecular weight of 498.35 g/mol. Its IUPAC name is 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID71717495
Molecular FormulaC18H10Cl2FN5O3S2
Molecular Weight498.35 g/mol
Exact Mass496.96
IUPAC Name5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2ccnnc2)cc1F
InChIInChI=1S/C18H10Cl2FN5O3S2/c19-11-1-2-15(12(5-11)10-3-4-22-23-8-10)29-16-7-14(21)17(6-13(16)20)31(27,28)26-18-25-24-9-30-18/h1-9H,(H,25,26)
InChIKeyZRAZBXGLOFAXPF-UHFFFAOYSA-N
XLogP5.03
TPSA106.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.35
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 71717495) is 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2ccnnc2)cc1F.
What is the InChIKey of 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is ZRAZBXGLOFAXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2FN5O3S2/c19-11-1-2-15(12(5-11)10-3-4-22-23-8-10)29-16-7-14(21)17(6-13(16)20)31(27,28)26-18-25-24-9-30-18/h1-9H,(H,25,26).
What are the key properties of 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 498.35 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71717495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).