5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1H-pyrazole

C15H10Cl2N2O2S — CID 2745771

IUPAC5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1H-pyrazole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N2O2S/c16-11-3-1-10(2-4-11)15-14(9-18-19-15)22(20,21)13-7-5-12(17)6-8-13/h1-9H,(H,18,19)
InChIKeyFOWBYBFUHLUNSF-UHFFFAOYSA-N
MW353.23 g/mol
LogP4.22
Rot. Bonds3

About 5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1H-pyrazole

5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1H-pyrazole (PubChem CID 2745771) has the molecular formula C15H10Cl2N2O2S and a molecular weight of 353.23 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1H-pyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1H-pyrazole
PubChem CID2745771
Molecular FormulaC15H10Cl2N2O2S
Molecular Weight353.23 g/mol
Exact Mass351.98
IUPAC Name5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1H-pyrazole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N2O2S/c16-11-3-1-10(2-4-11)15-14(9-18-19-15)22(20,21)13-7-5-12(17)6-8-13/h1-9H,(H,18,19)
InChIKeyFOWBYBFUHLUNSF-UHFFFAOYSA-N
XLogP4.22
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1H-pyrazole?
The IUPAC name of 5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1H-pyrazole (CID 2745771) is 5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1H-pyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1H-pyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1H-pyrazole is O=S(=O)(c1ccc(Cl)cc1)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1H-pyrazole?
The InChIKey is FOWBYBFUHLUNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2S/c16-11-3-1-10(2-4-11)15-14(9-18-19-15)22(20,21)13-7-5-12(17)6-8-13/h1-9H,(H,18,19).
What are the key properties of 5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1H-pyrazole?
5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1H-pyrazole has a molecular weight of 353.23 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1H-pyrazole is sourced from PubChem (CID 2745771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).