4-[4-[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]benzenesulfonamide

C20H19Cl2N5O3S — CID 112840789

IUPAC4-[4-[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(c3cnn(-c4ccc(Cl)cc4)c(=O)c3Cl)CC2)cc1
InChIInChI=1S/C20H19Cl2N5O3S/c21-14-1-3-16(4-2-14)27-20(28)19(22)18(13-24-27)26-11-9-25(10-12-26)15-5-7-17(8-6-15)31(23,29)30/h1-8,13H,9-12H2,(H2,23,29,30)
InChIKeyFZMBLJVQHIUPOJ-UHFFFAOYSA-N
MW480.38 g/mol
LogP2.51
Rot. Bonds4

About 4-[4-[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]benzenesulfonamide

4-[4-[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]benzenesulfonamide (PubChem CID 112840789) has the molecular formula C20H19Cl2N5O3S and a molecular weight of 480.38 g/mol. Its IUPAC name is 4-[4-[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]benzenesulfonamide
PubChem CID112840789
Molecular FormulaC20H19Cl2N5O3S
Molecular Weight480.38 g/mol
Exact Mass479.06
IUPAC Name4-[4-[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(c3cnn(-c4ccc(Cl)cc4)c(=O)c3Cl)CC2)cc1
InChIInChI=1S/C20H19Cl2N5O3S/c21-14-1-3-16(4-2-14)27-20(28)19(22)18(13-24-27)26-11-9-25(10-12-26)15-5-7-17(8-6-15)31(23,29)30/h1-8,13H,9-12H2,(H2,23,29,30)
InChIKeyFZMBLJVQHIUPOJ-UHFFFAOYSA-N
XLogP2.51
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]benzenesulfonamide (CID 112840789) is 4-[4-[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCN(c3cnn(-c4ccc(Cl)cc4)c(=O)c3Cl)CC2)cc1.
What is the InChIKey of 4-[4-[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]benzenesulfonamide?
The InChIKey is FZMBLJVQHIUPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N5O3S/c21-14-1-3-16(4-2-14)27-20(28)19(22)18(13-24-27)26-11-9-25(10-12-26)15-5-7-17(8-6-15)31(23,29)30/h1-8,13H,9-12H2,(H2,23,29,30).
What are the key properties of 4-[4-[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]benzenesulfonamide?
4-[4-[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]benzenesulfonamide has a molecular weight of 480.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 112840789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).