1-(4-chloro-3-methoxyphenyl)sulfonylpyrazole

C10H9ClN2O3S — CID 6462208

IUPAC1-(4-chloro-3-methoxyphenyl)sulfonylpyrazole
SMILESCOc1cc(S(=O)(=O)n2cccn2)ccc1Cl
InChIInChI=1S/C10H9ClN2O3S/c1-16-10-7-8(3-4-9(10)11)17(14,15)13-6-2-5-12-13/h2-7H,1H3
InChIKeyCMWSSHPXUCIWDY-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.78
Rot. Bonds3

About 1-(4-chloro-3-methoxyphenyl)sulfonylpyrazole

1-(4-chloro-3-methoxyphenyl)sulfonylpyrazole (PubChem CID 6462208) has the molecular formula C10H9ClN2O3S and a molecular weight of 272.71 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)sulfonylpyrazole
PubChem CID6462208
Molecular FormulaC10H9ClN2O3S
Molecular Weight272.71 g/mol
Exact Mass272.00
IUPAC Name1-(4-chloro-3-methoxyphenyl)sulfonylpyrazole
SMILESCOc1cc(S(=O)(=O)n2cccn2)ccc1Cl
InChIInChI=1S/C10H9ClN2O3S/c1-16-10-7-8(3-4-9(10)11)17(14,15)13-6-2-5-12-13/h2-7H,1H3
InChIKeyCMWSSHPXUCIWDY-UHFFFAOYSA-N
XLogP1.78
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)sulfonylpyrazole?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)sulfonylpyrazole (CID 6462208) is 1-(4-chloro-3-methoxyphenyl)sulfonylpyrazole.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)sulfonylpyrazole?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)sulfonylpyrazole is COc1cc(S(=O)(=O)n2cccn2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)sulfonylpyrazole?
The InChIKey is CMWSSHPXUCIWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3S/c1-16-10-7-8(3-4-9(10)11)17(14,15)13-6-2-5-12-13/h2-7H,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)sulfonylpyrazole?
1-(4-chloro-3-methoxyphenyl)sulfonylpyrazole has a molecular weight of 272.71 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)sulfonylpyrazole is sourced from PubChem (CID 6462208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).