4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-3-chloro-N-pyridazin-3-ylbenzenesulfonamide

C21H15Cl2N5O3S — CID 71718110

IUPAC4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-3-chloro-N-pyridazin-3-ylbenzenesulfonamide
SMILESNc1cc(-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3cccnn3)cc2Cl)ccn1
InChIInChI=1S/C21H15Cl2N5O3S/c22-14-3-5-18(16(11-14)13-7-9-25-20(24)10-13)31-19-6-4-15(12-17(19)23)32(29,30)28-21-2-1-8-26-27-21/h1-12H,(H2,24,25)(H,27,28)
InChIKeyKUDBVUBPVAGVSQ-UHFFFAOYSA-N
MW488.36 g/mol
LogP5.02
Rot. Bonds6

About 4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-3-chloro-N-pyridazin-3-ylbenzenesulfonamide

4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-3-chloro-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 71718110) has the molecular formula C21H15Cl2N5O3S and a molecular weight of 488.36 g/mol. Its IUPAC name is 4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-3-chloro-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-3-chloro-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID71718110
Molecular FormulaC21H15Cl2N5O3S
Molecular Weight488.36 g/mol
Exact Mass487.03
IUPAC Name4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-3-chloro-N-pyridazin-3-ylbenzenesulfonamide
SMILESNc1cc(-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3cccnn3)cc2Cl)ccn1
InChIInChI=1S/C21H15Cl2N5O3S/c22-14-3-5-18(16(11-14)13-7-9-25-20(24)10-13)31-19-6-4-15(12-17(19)23)32(29,30)28-21-2-1-8-26-27-21/h1-12H,(H2,24,25)(H,27,28)
InChIKeyKUDBVUBPVAGVSQ-UHFFFAOYSA-N
XLogP5.02
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.36
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-3-chloro-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-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-3-chloro-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-3-chloro-N-pyridazin-3-ylbenzenesulfonamide (CID 71718110) is 4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-3-chloro-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-3-chloro-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-3-chloro-N-pyridazin-3-ylbenzenesulfonamide is Nc1cc(-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3cccnn3)cc2Cl)ccn1.
What is the InChIKey of 4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-3-chloro-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is KUDBVUBPVAGVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N5O3S/c22-14-3-5-18(16(11-14)13-7-9-25-20(24)10-13)31-19-6-4-15(12-17(19)23)32(29,30)28-21-2-1-8-26-27-21/h1-12H,(H2,24,25)(H,27,28).
What are the key properties of 4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-3-chloro-N-pyridazin-3-ylbenzenesulfonamide?
4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-3-chloro-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 488.36 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-3-chloro-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 71718110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).