(7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2-phenyl-3a,4-dihydro-3H-thiopyrano[4,3-c]pyrazole 5,5-dioxide

C25H20Cl2N2O2S — CID 15567466

IUPAC(7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2-phenyl-3a,4-dihydro-3H-thiopyrano[4,3-c]pyrazole 5,5-dioxide
SMILESO=S1(=O)C/C(=C\c2ccc(Cl)cc2)C2=NN(c3ccccc3)C(c3ccc(Cl)cc3)C2C1
InChIInChI=1S/C25H20Cl2N2O2S/c26-20-10-6-17(7-11-20)14-19-15-32(30,31)16-23-24(19)28-29(22-4-2-1-3-5-22)25(23)18-8-12-21(27)13-9-18/h1-14,23,25H,15-16H2/b19-14+
InChIKeyJRSUHMWBDSWQLL-XMHGGMMESA-N
MW483.42 g/mol
LogP6.04
Rot. Bonds3

About (7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2-phenyl-3a,4-dihydro-3H-thiopyrano[4,3-c]pyrazole 5,5-dioxide

(7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2-phenyl-3a,4-dihydro-3H-thiopyrano[4,3-c]pyrazole 5,5-dioxide (PubChem CID 15567466) has the molecular formula C25H20Cl2N2O2S and a molecular weight of 483.42 g/mol. Its IUPAC name is (7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2-phenyl-3a,4-dihydro-3H-thiopyrano[4,3-c]pyrazole 5,5-dioxide.

Molecular Properties

Compound Name(7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2-phenyl-3a,4-dihydro-3H-thiopyrano[4,3-c]pyrazole 5,5-dioxide
PubChem CID15567466
Molecular FormulaC25H20Cl2N2O2S
Molecular Weight483.42 g/mol
Exact Mass482.06
IUPAC Name(7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2-phenyl-3a,4-dihydro-3H-thiopyrano[4,3-c]pyrazole 5,5-dioxide
SMILESO=S1(=O)C/C(=C\c2ccc(Cl)cc2)C2=NN(c3ccccc3)C(c3ccc(Cl)cc3)C2C1
InChIInChI=1S/C25H20Cl2N2O2S/c26-20-10-6-17(7-11-20)14-19-15-32(30,31)16-23-24(19)28-29(22-4-2-1-3-5-22)25(23)18-8-12-21(27)13-9-18/h1-14,23,25H,15-16H2/b19-14+
InChIKeyJRSUHMWBDSWQLL-XMHGGMMESA-N
XLogP6.04
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.42
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2-phenyl-3a,4-dihydro-3H-thiopyrano[4,3-c]pyrazole 5,5-dioxide?
The IUPAC name of (7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2-phenyl-3a,4-dihydro-3H-thiopyrano[4,3-c]pyrazole 5,5-dioxide (CID 15567466) is (7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2-phenyl-3a,4-dihydro-3H-thiopyrano[4,3-c]pyrazole 5,5-dioxide.
What is the SMILES notation for (7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2-phenyl-3a,4-dihydro-3H-thiopyrano[4,3-c]pyrazole 5,5-dioxide?
The canonical SMILES for (7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2-phenyl-3a,4-dihydro-3H-thiopyrano[4,3-c]pyrazole 5,5-dioxide is O=S1(=O)C/C(=C\c2ccc(Cl)cc2)C2=NN(c3ccccc3)C(c3ccc(Cl)cc3)C2C1.
What is the InChIKey of (7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2-phenyl-3a,4-dihydro-3H-thiopyrano[4,3-c]pyrazole 5,5-dioxide?
The InChIKey is JRSUHMWBDSWQLL-XMHGGMMESA-N. The full InChI is InChI=1S/C25H20Cl2N2O2S/c26-20-10-6-17(7-11-20)14-19-15-32(30,31)16-23-24(19)28-29(22-4-2-1-3-5-22)25(23)18-8-12-21(27)13-9-18/h1-14,23,25H,15-16H2/b19-14+.
What are the key properties of (7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2-phenyl-3a,4-dihydro-3H-thiopyrano[4,3-c]pyrazole 5,5-dioxide?
(7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2-phenyl-3a,4-dihydro-3H-thiopyrano[4,3-c]pyrazole 5,5-dioxide has a molecular weight of 483.42 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2-phenyl-3a,4-dihydro-3H-thiopyrano[4,3-c]pyrazole 5,5-dioxide is sourced from PubChem (CID 15567466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).