3-[[3-(4-chlorophenyl)sulfonyl-4,5-dihydro-1H-pyrazol-4-yl]sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole

C18H17ClN4O4S2 — CID 11270937

IUPAC3-[[3-(4-chlorophenyl)sulfonyl-4,5-dihydro-1H-pyrazol-4-yl]sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole
SMILESO=S(=O)(C1=NNCC1S(=O)(=O)C1=NNCC1c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O4S2/c19-13-6-8-14(9-7-13)28(24,25)18-16(11-21-23-18)29(26,27)17-15(10-20-22-17)12-4-2-1-3-5-12/h1-9,15-16,20-21H,10-11H2
InChIKeyMKKBSEVDDJOQAD-UHFFFAOYSA-N
MW452.95 g/mol
LogP1.51
Rot. Bonds3

About 3-[[3-(4-chlorophenyl)sulfonyl-4,5-dihydro-1H-pyrazol-4-yl]sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole

3-[[3-(4-chlorophenyl)sulfonyl-4,5-dihydro-1H-pyrazol-4-yl]sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole (PubChem CID 11270937) has the molecular formula C18H17ClN4O4S2 and a molecular weight of 452.95 g/mol. Its IUPAC name is 3-[[3-(4-chlorophenyl)sulfonyl-4,5-dihydro-1H-pyrazol-4-yl]sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-[[3-(4-chlorophenyl)sulfonyl-4,5-dihydro-1H-pyrazol-4-yl]sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole
PubChem CID11270937
Molecular FormulaC18H17ClN4O4S2
Molecular Weight452.95 g/mol
Exact Mass452.04
IUPAC Name3-[[3-(4-chlorophenyl)sulfonyl-4,5-dihydro-1H-pyrazol-4-yl]sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole
SMILESO=S(=O)(C1=NNCC1S(=O)(=O)C1=NNCC1c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O4S2/c19-13-6-8-14(9-7-13)28(24,25)18-16(11-21-23-18)29(26,27)17-15(10-20-22-17)12-4-2-1-3-5-12/h1-9,15-16,20-21H,10-11H2
InChIKeyMKKBSEVDDJOQAD-UHFFFAOYSA-N
XLogP1.51
TPSA117.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.95
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[3-(4-chlorophenyl)sulfonyl-4,5-dihydro-1H-pyrazol-4-yl]sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole 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 3-[[3-(4-chlorophenyl)sulfonyl-4,5-dihydro-1H-pyrazol-4-yl]sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3-[[3-(4-chlorophenyl)sulfonyl-4,5-dihydro-1H-pyrazol-4-yl]sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole (CID 11270937) is 3-[[3-(4-chlorophenyl)sulfonyl-4,5-dihydro-1H-pyrazol-4-yl]sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-[[3-(4-chlorophenyl)sulfonyl-4,5-dihydro-1H-pyrazol-4-yl]sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-[[3-(4-chlorophenyl)sulfonyl-4,5-dihydro-1H-pyrazol-4-yl]sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole is O=S(=O)(C1=NNCC1S(=O)(=O)C1=NNCC1c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[[3-(4-chlorophenyl)sulfonyl-4,5-dihydro-1H-pyrazol-4-yl]sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole?
The InChIKey is MKKBSEVDDJOQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4S2/c19-13-6-8-14(9-7-13)28(24,25)18-16(11-21-23-18)29(26,27)17-15(10-20-22-17)12-4-2-1-3-5-12/h1-9,15-16,20-21H,10-11H2.
What are the key properties of 3-[[3-(4-chlorophenyl)sulfonyl-4,5-dihydro-1H-pyrazol-4-yl]sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole?
3-[[3-(4-chlorophenyl)sulfonyl-4,5-dihydro-1H-pyrazol-4-yl]sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole has a molecular weight of 452.95 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-chlorophenyl)sulfonyl-4,5-dihydro-1H-pyrazol-4-yl]sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 11270937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).