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

C19H11Cl2FN4O3S2 — CID 71716249

IUPAC5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2ccnnc2)cc1F
InChIInChI=1S/C19H11Cl2FN4O3S2/c20-12-1-2-16(13(5-12)11-3-4-24-25-8-11)29-17-7-15(22)18(6-14(17)21)31(27,28)26-19-9-30-10-23-19/h1-10,26H
InChIKeyQLCHUIFAUQJPHA-UHFFFAOYSA-N
MW497.36 g/mol
LogP5.64
Rot. Bonds6

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

5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 71716249) has the molecular formula C19H11Cl2FN4O3S2 and a molecular weight of 497.36 g/mol. Its IUPAC name is 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID71716249
Molecular FormulaC19H11Cl2FN4O3S2
Molecular Weight497.36 g/mol
Exact Mass495.96
IUPAC Name5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2ccnnc2)cc1F
InChIInChI=1S/C19H11Cl2FN4O3S2/c20-12-1-2-16(13(5-12)11-3-4-24-25-8-11)29-17-7-15(22)18(6-14(17)21)31(27,28)26-19-9-30-10-23-19/h1-10,26H
InChIKeyQLCHUIFAUQJPHA-UHFFFAOYSA-N
XLogP5.64
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.36
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Pf-05089771
CID 46840946
5-chloro-4-(4-chloro-2-piperidin-4-ylphenoxy)-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 46840681
4-[2-(1-Azetidin-3-yl-1H-pyrazol-5-yl)-4-fluorophenoxy]-5-chloro-2-flouro-N-1,3-thiazol-4-ylbenzenesulfonamide
CID 46841354
4-[2-(2-aminopyridin-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-1,3,4-thiadiazol-2-ylbenzenesulfonamide
CID 46841502
CID 46841789
CID 46841789
4-[2-(2-aminopyridin-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 46841934
5-Chloro-2-fluoro-4-{4-fluoro-2-[1-(1-methylazetidin-3-yl)-1H-pyrazol-5-yl]phenoxy}-N-1,3-thiazol-4-ylbenzenesulfonamide
CID 57494824
4-[4-chloro-2-(1H-pyrazol-5-yl)phenoxy]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716175
4-[4-chloro-2-(1H-pyrazol-4-yl)phenoxy]-3-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 71716192
4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 71716220
5-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 71716262
5-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716265

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide (CID 71716249) is 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide is O=S(=O)(Nc1cscn1)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-thiazol-4-yl)benzenesulfonamide?
The InChIKey is QLCHUIFAUQJPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2FN4O3S2/c20-12-1-2-16(13(5-12)11-3-4-24-25-8-11)29-17-7-15(22)18(6-14(17)21)31(27,28)26-19-9-30-10-23-19/h1-10,26H.
What are the key properties of 5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide?
5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 497.36 g/mol, XLogP of 5.64, 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-(1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 71716249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).