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

C14H17ClN2O3S — CID 1257454

IUPAC1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1nc(C)cc1C
InChIInChI=1S/C14H17ClN2O3S/c1-5-20-13-6-9(2)12(15)8-14(13)21(18,19)17-11(4)7-10(3)16-17/h6-8H,5H2,1-4H3
InChIKeyFAMIIENVVUWRFI-UHFFFAOYSA-N
MW328.82 g/mol
LogP3.10
Rot. Bonds4

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

1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 1257454) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID1257454
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1nc(C)cc1C
InChIInChI=1S/C14H17ClN2O3S/c1-5-20-13-6-9(2)12(15)8-14(13)21(18,19)17-11(4)7-10(3)16-17/h6-8H,5H2,1-4H3
InChIKeyFAMIIENVVUWRFI-UHFFFAOYSA-N
XLogP3.10
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-3,5-dimethylpyrazole (CID 1257454) is 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-3,5-dimethylpyrazole is CCOc1cc(C)c(Cl)cc1S(=O)(=O)n1nc(C)cc1C.
What is the InChIKey of 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is FAMIIENVVUWRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c1-5-20-13-6-9(2)12(15)8-14(13)21(18,19)17-11(4)7-10(3)16-17/h6-8H,5H2,1-4H3.
What are the key properties of 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 328.82 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 1257454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).