1-(4-chloro-2,5-dimethoxyphenyl)sulfonylpyrazole

C11H11ClN2O4S — CID 6463572

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)sulfonylpyrazole
SMILESCOc1cc(S(=O)(=O)n2cccn2)c(OC)cc1Cl
InChIInChI=1S/C11H11ClN2O4S/c1-17-9-7-11(10(18-2)6-8(9)12)19(15,16)14-5-3-4-13-14/h3-7H,1-2H3
InChIKeySVEAOQSREOTIOS-UHFFFAOYSA-N
MW302.74 g/mol
LogP1.79
Rot. Bonds4

About 1-(4-chloro-2,5-dimethoxyphenyl)sulfonylpyrazole

1-(4-chloro-2,5-dimethoxyphenyl)sulfonylpyrazole (PubChem CID 6463572) has the molecular formula C11H11ClN2O4S and a molecular weight of 302.74 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)sulfonylpyrazole
PubChem CID6463572
Molecular FormulaC11H11ClN2O4S
Molecular Weight302.74 g/mol
Exact Mass302.01
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)sulfonylpyrazole
SMILESCOc1cc(S(=O)(=O)n2cccn2)c(OC)cc1Cl
InChIInChI=1S/C11H11ClN2O4S/c1-17-9-7-11(10(18-2)6-8(9)12)19(15,16)14-5-3-4-13-14/h3-7H,1-2H3
InChIKeySVEAOQSREOTIOS-UHFFFAOYSA-N
XLogP1.79
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonylpyrazole?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonylpyrazole (CID 6463572) is 1-(4-chloro-2,5-dimethoxyphenyl)sulfonylpyrazole.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)sulfonylpyrazole?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)sulfonylpyrazole is COc1cc(S(=O)(=O)n2cccn2)c(OC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonylpyrazole?
The InChIKey is SVEAOQSREOTIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4S/c1-17-9-7-11(10(18-2)6-8(9)12)19(15,16)14-5-3-4-13-14/h3-7H,1-2H3.
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonylpyrazole?
1-(4-chloro-2,5-dimethoxyphenyl)sulfonylpyrazole has a molecular weight of 302.74 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)sulfonylpyrazole is sourced from PubChem (CID 6463572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).