1-(4-chloronaphthalen-1-yl)sulfonylpyrazole

C13H9ClN2O2S — CID 15943929

IUPAC1-(4-chloronaphthalen-1-yl)sulfonylpyrazole
SMILESO=S(=O)(c1ccc(Cl)c2ccccc12)n1cccn1
InChIInChI=1S/C13H9ClN2O2S/c14-12-6-7-13(11-5-2-1-4-10(11)12)19(17,18)16-9-3-8-15-16/h1-9H
InChIKeyMIEWGWZPKGVZIG-UHFFFAOYSA-N
MW292.75 g/mol
LogP2.93
Rot. Bonds2

About 1-(4-chloronaphthalen-1-yl)sulfonylpyrazole

1-(4-chloronaphthalen-1-yl)sulfonylpyrazole (PubChem CID 15943929) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)sulfonylpyrazole
PubChem CID15943929
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name1-(4-chloronaphthalen-1-yl)sulfonylpyrazole
SMILESO=S(=O)(c1ccc(Cl)c2ccccc12)n1cccn1
InChIInChI=1S/C13H9ClN2O2S/c14-12-6-7-13(11-5-2-1-4-10(11)12)19(17,18)16-9-3-8-15-16/h1-9H
InChIKeyMIEWGWZPKGVZIG-UHFFFAOYSA-N
XLogP2.93
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)sulfonylpyrazole?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)sulfonylpyrazole (CID 15943929) is 1-(4-chloronaphthalen-1-yl)sulfonylpyrazole.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)sulfonylpyrazole?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)sulfonylpyrazole is O=S(=O)(c1ccc(Cl)c2ccccc12)n1cccn1.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)sulfonylpyrazole?
The InChIKey is MIEWGWZPKGVZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c14-12-6-7-13(11-5-2-1-4-10(11)12)19(17,18)16-9-3-8-15-16/h1-9H.
What are the key properties of 1-(4-chloronaphthalen-1-yl)sulfonylpyrazole?
1-(4-chloronaphthalen-1-yl)sulfonylpyrazole has a molecular weight of 292.75 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloronaphthalen-1-yl)sulfonylpyrazole is sourced from PubChem (CID 15943929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).