1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole

C13H15ClN2O4S — CID 2950359

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCOc1cc(S(=O)(=O)n2nc(C)cc2C)c(OC)cc1Cl
InChIInChI=1S/C13H15ClN2O4S/c1-8-5-9(2)16(15-8)21(17,18)13-7-11(19-3)10(14)6-12(13)20-4/h5-7H,1-4H3
InChIKeyUGLXMUDYTXIHEZ-UHFFFAOYSA-N
MW330.79 g/mol
LogP2.41
Rot. Bonds4

About 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole

1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 2950359) has the molecular formula C13H15ClN2O4S and a molecular weight of 330.79 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID2950359
Molecular FormulaC13H15ClN2O4S
Molecular Weight330.79 g/mol
Exact Mass330.04
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCOc1cc(S(=O)(=O)n2nc(C)cc2C)c(OC)cc1Cl
InChIInChI=1S/C13H15ClN2O4S/c1-8-5-9(2)16(15-8)21(17,18)13-7-11(19-3)10(14)6-12(13)20-4/h5-7H,1-4H3
InChIKeyUGLXMUDYTXIHEZ-UHFFFAOYSA-N
XLogP2.41
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 52.41
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)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole (CID 2950359) is 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole is COc1cc(S(=O)(=O)n2nc(C)cc2C)c(OC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is UGLXMUDYTXIHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4S/c1-8-5-9(2)16(15-8)21(17,18)13-7-11(19-3)10(14)6-12(13)20-4/h5-7H,1-4H3.
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 330.79 g/mol, XLogP of 2.41, 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)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 2950359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).