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

C12H13ClN2O3S — CID 649074

IUPAC1-(4-chloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCOc1cc(Cl)ccc1S(=O)(=O)n1nc(C)cc1C
InChIInChI=1S/C12H13ClN2O3S/c1-8-6-9(2)15(14-8)19(16,17)12-5-4-10(13)7-11(12)18-3/h4-7H,1-3H3
InChIKeyRFURSCHTKNKSJV-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.40
Rot. Bonds3

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

1-(4-chloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 649074) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID649074
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name1-(4-chloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCOc1cc(Cl)ccc1S(=O)(=O)n1nc(C)cc1C
InChIInChI=1S/C12H13ClN2O3S/c1-8-6-9(2)15(14-8)19(16,17)12-5-4-10(13)7-11(12)18-3/h4-7H,1-3H3
InChIKeyRFURSCHTKNKSJV-UHFFFAOYSA-N
XLogP2.40
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole (CID 649074) is 1-(4-chloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole is COc1cc(Cl)ccc1S(=O)(=O)n1nc(C)cc1C.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is RFURSCHTKNKSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-8-6-9(2)15(14-8)19(16,17)12-5-4-10(13)7-11(12)18-3/h4-7H,1-3H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
1-(4-chloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 300.77 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 649074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).