4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide

C20H16ClFN6O2S — CID 66776206

IUPAC4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnn1)c1ccc(Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1F
InChIInChI=1S/C20H16ClFN6O2S/c21-15-5-3-14(4-6-15)13-28-11-9-19(26-28)24-16-7-8-18(17(22)12-16)31(29,30)27-20-2-1-10-23-25-20/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyPBYFMVIJKKLNDU-UHFFFAOYSA-N
MW458.91 g/mol
LogP4.06
Rot. Bonds7

About 4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide

4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 66776206) has the molecular formula C20H16ClFN6O2S and a molecular weight of 458.91 g/mol. Its IUPAC name is 4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID66776206
Molecular FormulaC20H16ClFN6O2S
Molecular Weight458.91 g/mol
Exact Mass458.07
IUPAC Name4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnn1)c1ccc(Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1F
InChIInChI=1S/C20H16ClFN6O2S/c21-15-5-3-14(4-6-15)13-28-11-9-19(26-28)24-16-7-8-18(17(22)12-16)31(29,30)27-20-2-1-10-23-25-20/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyPBYFMVIJKKLNDU-UHFFFAOYSA-N
XLogP4.06
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.91
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide (CID 66776206) is 4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide is O=S(=O)(Nc1cccnn1)c1ccc(Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1F.
What is the InChIKey of 4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is PBYFMVIJKKLNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN6O2S/c21-15-5-3-14(4-6-15)13-28-11-9-19(26-28)24-16-7-8-18(17(22)12-16)31(29,30)27-20-2-1-10-23-25-20/h1-12H,13H2,(H,24,26)(H,25,27).
What are the key properties of 4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 458.91 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 66776206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).