5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-pyrimidin-2-ylbenzenesulfonamide

C20H12Cl2FN5O3S — CID 71717484

IUPAC5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2ccnnc2)cc1F
InChIInChI=1S/C20H12Cl2FN5O3S/c21-13-2-3-17(14(8-13)12-4-7-26-27-11-12)31-18-10-16(23)19(9-15(18)22)32(29,30)28-20-24-5-1-6-25-20/h1-11H,(H,24,25,28)
InChIKeyFGAAKBMALGIOKP-UHFFFAOYSA-N
MW492.32 g/mol
LogP4.97
Rot. Bonds6

About 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-pyrimidin-2-ylbenzenesulfonamide

5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 71717484) has the molecular formula C20H12Cl2FN5O3S and a molecular weight of 492.32 g/mol. Its IUPAC name is 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID71717484
Molecular FormulaC20H12Cl2FN5O3S
Molecular Weight492.32 g/mol
Exact Mass491.00
IUPAC Name5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2ccnnc2)cc1F
InChIInChI=1S/C20H12Cl2FN5O3S/c21-13-2-3-17(14(8-13)12-4-7-26-27-11-12)31-18-10-16(23)19(9-15(18)22)32(29,30)28-20-24-5-1-6-25-20/h1-11H,(H,24,25,28)
InChIKeyFGAAKBMALGIOKP-UHFFFAOYSA-N
XLogP4.97
TPSA106.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.32
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ds-1971
CID 71711862
4-[2-(2-aminopyridin-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide
CID 46841500
5-chloro-4-[4-chloro-2-(1-methyl-1H-pyrazol-5-yl)phenoxy]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide
CID 46841501
4-[2-(2-aminopyridin-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-1,3,4-thiadiazol-2-ylbenzenesulfonamide
CID 46841502
4-[2-(2-aminopyridin-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 46841934
4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-pyrimidin-4-ylbenzenesulfonamide
CID 71716191
4-(4-chloro-2-pyridazin-4-ylphenoxy)-2,5-difluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 71716211
5-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 71716262
4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716313
4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-5-chloro-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide
CID 71716859
4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-3-chloro-N-pyrimidin-4-ylbenzenesulfonamide
CID 71716860
3-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-N-pyrimidin-4-ylbenzenesulfonamide
CID 71717456

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-pyrimidin-2-ylbenzenesulfonamide (CID 71717484) is 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-pyrimidin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ncccn1)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-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is FGAAKBMALGIOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2FN5O3S/c21-13-2-3-17(14(8-13)12-4-7-26-27-11-12)31-18-10-16(23)19(9-15(18)22)32(29,30)28-20-24-5-1-6-25-20/h1-11H,(H,24,25,28).
What are the key properties of 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-pyrimidin-2-ylbenzenesulfonamide?
5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 492.32 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 71717484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).