1-(4-chlorophenyl)sulfonyl-5-(2-thiophen-2-ylethenyl)pyrazole

C15H11ClN2O2S2 — CID 2805987

IUPAC1-(4-chlorophenyl)sulfonyl-5-(2-thiophen-2-ylethenyl)pyrazole
SMILESO=S(=O)(c1ccc(Cl)cc1)n1nccc1C=Cc1cccs1
InChIInChI=1S/C15H11ClN2O2S2/c16-12-3-7-15(8-4-12)22(19,20)18-13(9-10-17-18)5-6-14-2-1-11-21-14/h1-11H
InChIKeyWFZZTWKHGDXGTM-UHFFFAOYSA-N
MW350.85 g/mol
LogP4.01
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-5-(2-thiophen-2-ylethenyl)pyrazole

1-(4-chlorophenyl)sulfonyl-5-(2-thiophen-2-ylethenyl)pyrazole (PubChem CID 2805987) has the molecular formula C15H11ClN2O2S2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-5-(2-thiophen-2-ylethenyl)pyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-5-(2-thiophen-2-ylethenyl)pyrazole
PubChem CID2805987
Molecular FormulaC15H11ClN2O2S2
Molecular Weight350.85 g/mol
Exact Mass350.00
IUPAC Name1-(4-chlorophenyl)sulfonyl-5-(2-thiophen-2-ylethenyl)pyrazole
SMILESO=S(=O)(c1ccc(Cl)cc1)n1nccc1C=Cc1cccs1
InChIInChI=1S/C15H11ClN2O2S2/c16-12-3-7-15(8-4-12)22(19,20)18-13(9-10-17-18)5-6-14-2-1-11-21-14/h1-11H
InChIKeyWFZZTWKHGDXGTM-UHFFFAOYSA-N
XLogP4.01
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-(2-thiophen-2-ylethenyl)pyrazole?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-(2-thiophen-2-ylethenyl)pyrazole (CID 2805987) is 1-(4-chlorophenyl)sulfonyl-5-(2-thiophen-2-ylethenyl)pyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-5-(2-thiophen-2-ylethenyl)pyrazole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-5-(2-thiophen-2-ylethenyl)pyrazole is O=S(=O)(c1ccc(Cl)cc1)n1nccc1C=Cc1cccs1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-5-(2-thiophen-2-ylethenyl)pyrazole?
The InChIKey is WFZZTWKHGDXGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S2/c16-12-3-7-15(8-4-12)22(19,20)18-13(9-10-17-18)5-6-14-2-1-11-21-14/h1-11H.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-5-(2-thiophen-2-ylethenyl)pyrazole?
1-(4-chlorophenyl)sulfonyl-5-(2-thiophen-2-ylethenyl)pyrazole has a molecular weight of 350.85 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-5-(2-thiophen-2-ylethenyl)pyrazole is sourced from PubChem (CID 2805987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).