2-(4-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazole 5,5-dioxide

C16H11ClN2O2S — CID 57198642

IUPAC2-(4-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazole 5,5-dioxide
SMILESO=S1(=O)Cc2cn(-c3ccc(Cl)cc3)nc2-c2ccccc21
InChIInChI=1S/C16H11ClN2O2S/c17-12-5-7-13(8-6-12)19-9-11-10-22(20,21)15-4-2-1-3-14(15)16(11)18-19/h1-9H,10H2
InChIKeyVLVRMIOMSYGDTP-UHFFFAOYSA-N
MW330.80 g/mol
LogP3.48
Rot. Bonds1

About 2-(4-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazole 5,5-dioxide

2-(4-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazole 5,5-dioxide (PubChem CID 57198642) has the molecular formula C16H11ClN2O2S and a molecular weight of 330.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazole 5,5-dioxide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazole 5,5-dioxide
PubChem CID57198642
Molecular FormulaC16H11ClN2O2S
Molecular Weight330.80 g/mol
Exact Mass330.02
IUPAC Name2-(4-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazole 5,5-dioxide
SMILESO=S1(=O)Cc2cn(-c3ccc(Cl)cc3)nc2-c2ccccc21
InChIInChI=1S/C16H11ClN2O2S/c17-12-5-7-13(8-6-12)19-9-11-10-22(20,21)15-4-2-1-3-14(15)16(11)18-19/h1-9H,10H2
InChIKeyVLVRMIOMSYGDTP-UHFFFAOYSA-N
XLogP3.48
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazole 5,5-dioxide?
The IUPAC name of 2-(4-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazole 5,5-dioxide (CID 57198642) is 2-(4-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazole 5,5-dioxide.
What is the SMILES notation for 2-(4-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazole 5,5-dioxide?
The canonical SMILES for 2-(4-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazole 5,5-dioxide is O=S1(=O)Cc2cn(-c3ccc(Cl)cc3)nc2-c2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazole 5,5-dioxide?
The InChIKey is VLVRMIOMSYGDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2S/c17-12-5-7-13(8-6-12)19-9-11-10-22(20,21)15-4-2-1-3-14(15)16(11)18-19/h1-9H,10H2.
What are the key properties of 2-(4-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazole 5,5-dioxide?
2-(4-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazole 5,5-dioxide has a molecular weight of 330.80 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazole 5,5-dioxide is sourced from PubChem (CID 57198642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).